N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate

C202H272N58O14S3+2 — CID 157170239

IUPACN,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate
SMILESC=C(C)Nc1nccc(C)n1.CCOc1nccc(C)n1.Cc1cc(N)ncn1.Cc1cc[n+](O)c(C(C)(C)N)c1.Cc1cc[n+](O)cc1.Cc1cc[nH]c(=O)c1.Cc1cccc(C(C)(C)N)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1ccnc(C(C)(C)N)c1.Cc1ccnc(C(N)=O)c1.Cc1ccnc(CN)n1.Cc1ccnc(N(C)C)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1C(N)=O.Cc1ccncc1CN(C)C.Cc1ccncc1N(C)C.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ncncc1C#N.Cc1ncncc1CN.Cc1ncncc1CN(C)C.Cc1ncncc1N.Cc1ncncc1S(C)(=O)=O.O.[C-]#[N+]c1cc(C)ccn1.[C-]#[N+]c1cccc(C)c1
InChIInChI=1S/C10H15N.C9H15N2O.2C9H14N2.C8H13N3.C8H11N3.2C8H12N2.C8H9NO.C8H7N.C8H11N.2C7H8N2O.C7H10N2O.C7H6N2.C7H9NO2S.C6H9N3.C6H5N3.C6H9N3.2C6H8N2O2S.C6H8N2.C6H8NO.C6H7NO.C6H7N.3C5H7N3.C5H6N2.H2O/c1-8-5-4-6-9(7-8)10(2,3)11;1-7-4-5-11(12)8(6-7)9(2,3)10;1-8-4-5-10-6-9(8)7-11(2)3;1-7-4-5-11-8(6-7)9(2,3)10;1-7-8(5-11(2)3)4-9-6-10-7;1-6(2)10-8-9-5-4-7(3)11-8;1-7-4-5-9-6-8(7)10(2)3;1-7-4-5-9-8(6-7)10(2)3;1-6-3-2-4-7(5-6)8(9)10;1-7-4-3-5-8(6-7)9-2;1-7-3-2-4-8(5-7)6-9;1-5-2-3-9-4-6(5)7(8)10;1-5-2-3-9-6(4-5)7(8)10;1-3-10-7-8-5-4-6(2)9-7;1-6-3-4-9-7(5-6)8-2;1-6-3-4-8-5-7(6)11(2,9)10;2*1-5-6(2-7)3-8-4-9-5;1-5-2-3-8-6(4-7)9-5;1-5-6(11(2,9)10)3-7-4-8-5;1-5-2-3-8-4-6(5)11(7,9)10;1-5-2-3-8-6(7)4-5;1-6-2-4-7(8)5-3-6;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5;/h4-7H,11H2,1-3H3;4-6,12H,10H2,1-3H3;4-6H,7H2,1-3H3;4-6H,10H2,1-3H3;4,6H,5H2,1-3H3;4-5H,1H2,2-3H3,(H,9,10,11);2*4-6H,1-3H3;2-5H,1H3,(H2,9,10);3-6H,1H3;2-5H,6,9H2,1H3;2*2-4H,1H3,(H2,8,10);4-5H,3H2,1-2H3;3-5H,1H3;3-5H,1-2H3;3-4H,2,7H2,1H3;3-4H,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,9,10);2-4H,1H3,(H2,7,8);2-5,8H,1H3;2-4H,1H3,(H,7,8);2-5H,1H3;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);2-4H,1H3;1H2/q;+1;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;
InChIKeyABJSTPFNLALNTQ-UHFFFAOYSA-N
MW3832.99 g/mol
LogP27.41
Rot. Bonds22

About N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate

N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate (PubChem CID 157170239) has the molecular formula C202H272N58O14S3+2 and a molecular weight of 3832.99 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate
PubChem CID157170239
Molecular FormulaC202H272N58O14S3+2
Molecular Weight3832.99 g/mol
Exact Mass3830.15
IUPAC NameN,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate
SMILESC=C(C)Nc1nccc(C)n1.CCOc1nccc(C)n1.Cc1cc(N)ncn1.Cc1cc[n+](O)c(C(C)(C)N)c1.Cc1cc[n+](O)cc1.Cc1cc[nH]c(=O)c1.Cc1cccc(C(C)(C)N)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1ccnc(C(C)(C)N)c1.Cc1ccnc(C(N)=O)c1.Cc1ccnc(CN)n1.Cc1ccnc(N(C)C)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1C(N)=O.Cc1ccncc1CN(C)C.Cc1ccncc1N(C)C.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ncncc1C#N.Cc1ncncc1CN.Cc1ncncc1CN(C)C.Cc1ncncc1N.Cc1ncncc1S(C)(=O)=O.O.[C-]#[N+]c1cc(C)ccn1.[C-]#[N+]c1cccc(C)c1
InChIInChI=1S/C10H15N.C9H15N2O.2C9H14N2.C8H13N3.C8H11N3.2C8H12N2.C8H9NO.C8H7N.C8H11N.2C7H8N2O.C7H10N2O.C7H6N2.C7H9NO2S.C6H9N3.C6H5N3.C6H9N3.2C6H8N2O2S.C6H8N2.C6H8NO.C6H7NO.C6H7N.3C5H7N3.C5H6N2.H2O/c1-8-5-4-6-9(7-8)10(2,3)11;1-7-4-5-11(12)8(6-7)9(2,3)10;1-8-4-5-10-6-9(8)7-11(2)3;1-7-4-5-11-8(6-7)9(2,3)10;1-7-8(5-11(2)3)4-9-6-10-7;1-6(2)10-8-9-5-4-7(3)11-8;1-7-4-5-9-6-8(7)10(2)3;1-7-4-5-9-8(6-7)10(2)3;1-6-3-2-4-7(5-6)8(9)10;1-7-4-3-5-8(6-7)9-2;1-7-3-2-4-8(5-7)6-9;1-5-2-3-9-4-6(5)7(8)10;1-5-2-3-9-6(4-5)7(8)10;1-3-10-7-8-5-4-6(2)9-7;1-6-3-4-9-7(5-6)8-2;1-6-3-4-8-5-7(6)11(2,9)10;2*1-5-6(2-7)3-8-4-9-5;1-5-2-3-8-6(4-7)9-5;1-5-6(11(2,9)10)3-7-4-8-5;1-5-2-3-8-4-6(5)11(7,9)10;1-5-2-3-8-6(7)4-5;1-6-2-4-7(8)5-3-6;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5;/h4-7H,11H2,1-3H3;4-6,12H,10H2,1-3H3;4-6H,7H2,1-3H3;4-6H,10H2,1-3H3;4,6H,5H2,1-3H3;4-5H,1H2,2-3H3,(H,9,10,11);2*4-6H,1-3H3;2-5H,1H3,(H2,9,10);3-6H,1H3;2-5H,6,9H2,1H3;2*2-4H,1H3,(H2,8,10);4-5H,3H2,1-2H3;3-5H,1H3;3-5H,1-2H3;3-4H,2,7H2,1H3;3-4H,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,9,10);2-4H,1H3,(H2,7,8);2-5,8H,1H3;2-4H,1H3,(H,7,8);2-5H,1H3;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);2-4H,1H3;1H2/q;+1;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;
InChIKeyABJSTPFNLALNTQ-UHFFFAOYSA-N
XLogP27.41
TPSA1122.59 Ų
H-Bond Donors18
H-Bond Acceptors62
Rotatable Bonds22
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003832.99
LogP ≤ 527.41
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate?
The IUPAC name of N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate (CID 157170239) is N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate.
What is the SMILES notation for N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate?
The canonical SMILES for N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate is C=C(C)Nc1nccc(C)n1.CCOc1nccc(C)n1.Cc1cc(N)ncn1.Cc1cc[n+](O)c(C(C)(C)N)c1.Cc1cc[n+](O)cc1.Cc1cc[nH]c(=O)c1.Cc1cccc(C(C)(C)N)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1ccnc(C(C)(C)N)c1.Cc1ccnc(C(N)=O)c1.Cc1ccnc(CN)n1.Cc1ccnc(N(C)C)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1.Cc1ccncc1C(N)=O.Cc1ccncc1CN(C)C.Cc1ccncc1N(C)C.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ncncc1C#N.Cc1ncncc1CN.Cc1ncncc1CN(C)C.Cc1ncncc1N.Cc1ncncc1S(C)(=O)=O.O.[C-]#[N+]c1cc(C)ccn1.[C-]#[N+]c1cccc(C)c1.
What is the InChIKey of N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate?
The InChIKey is ABJSTPFNLALNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H15N2O.2C9H14N2.C8H13N3.C8H11N3.2C8H12N2.C8H9NO.C8H7N.C8H11N.2C7H8N2O.C7H10N2O.C7H6N2.C7H9NO2S.C6H9N3.C6H5N3.C6H9N3.2C6H8N2O2S.C6H8N2.C6H8NO.C6H7NO.C6H7N.3C5H7N3.C5H6N2.H2O/c1-8-5-4-6-9(7-8)10(2,3)11;1-7-4-5-11(12)8(6-7)9(2,3)10;1-8-4-5-10-6-9(8)7-11(2)3;1-7-4-5-11-8(6-7)9(2,3)10;1-7-8(5-11(2)3)4-9-6-10-7;1-6(2)10-8-9-5-4-7(3)11-8;1-7-4-5-9-6-8(7)10(2)3;1-7-4-5-9-8(6-7)10(2)3;1-6-3-2-4-7(5-6)8(9)10;1-7-4-3-5-8(6-7)9-2;1-7-3-2-4-8(5-7)6-9;1-5-2-3-9-4-6(5)7(8)10;1-5-2-3-9-6(4-5)7(8)10;1-3-10-7-8-5-4-6(2)9-7;1-6-3-4-9-7(5-6)8-2;1-6-3-4-8-5-7(6)11(2,9)10;2*1-5-6(2-7)3-8-4-9-5;1-5-2-3-8-6(4-7)9-5;1-5-6(11(2,9)10)3-7-4-8-5;1-5-2-3-8-4-6(5)11(7,9)10;1-5-2-3-8-6(7)4-5;1-6-2-4-7(8)5-3-6;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5;/h4-7H,11H2,1-3H3;4-6,12H,10H2,1-3H3;4-6H,7H2,1-3H3;4-6H,10H2,1-3H3;4,6H,5H2,1-3H3;4-5H,1H2,2-3H3,(H,9,10,11);2*4-6H,1-3H3;2-5H,1H3,(H2,9,10);3-6H,1H3;2-5H,6,9H2,1H3;2*2-4H,1H3,(H2,8,10);4-5H,3H2,1-2H3;3-5H,1H3;3-5H,1-2H3;3-4H,2,7H2,1H3;3-4H,1H3;2-3H,4,7H2,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,9,10);2-4H,1H3,(H2,7,8);2-5,8H,1H3;2-4H,1H3,(H,7,8);2-5H,1H3;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);2-4H,1H3;1H2/q;+1;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;.
What are the key properties of N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate?
N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate has a molecular weight of 3832.99 g/mol, XLogP of 27.41, 22 rotatable bonds, 18 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;N,N-dimethyl-1-(4-methylpyrimidin-5-yl)methanamine;2-ethoxy-4-methylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;2-(1-hydroxy-4-methylpyridin-1-ium-2-yl)propan-2-amine;1-isocyano-3-methylbenzene;2-isocyano-4-methylpyridine;3-methylbenzamide;4-methyl-3-methylsulfonylpyridine;4-methyl-5-methylsulfonylpyrimidine;(3-methylphenyl)methanamine;2-(3-methylphenyl)propan-2-amine;4-methyl-N-prop-1-en-2-ylpyrimidin-2-amine;4-methylpyridin-2-amine;4-methylpyridine;4-methylpyridine-2-carboxamide;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;4-methyl-1H-pyridin-2-one;2-(4-methyl-2-pyridinyl)propan-2-amine;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;4-methylpyrimidine;4-methylpyrimidine-5-carbonitrile;(4-methylpyrimidin-2-yl)methanamine;(4-methylpyrimidin-5-yl)methanamine;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine;hydrate is sourced from PubChem (CID 157170239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).