2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine

C175H254ClN21O6 — CID 162162688

IUPAC2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine
SMILESC=C(N)c1ccc(CC(C)C)cc1.C=C(N)c1ccc(CCC(C)C)cc1.CC(C)CCc1ccc(CN)cc1.CC(C)CCc1ccc2c(N)cccc2c1.CC(C)Cc1ccc(CN)cc1.CC(C)Cc1ccc2c(N)nccc2c1.CC(C)Cc1ccc2cc(Cl)ccc2c1.CNC(=O)C(CCC(N)=O)C(C)C.CNC(=O)[C@H](Cc1c[nH]c2ccccc12)C(C)C.CNC(=O)[C@H](Cc1ccc(O)cc1)C(C)C.CNC(=O)[C@H](Cc1cnc[nH]1)C(C)C.Cc1cc(N)nc(C)c1CC(C)C.Cc1cc(N)nc(C)c1CCC(C)C.Cc1cc2c(N)nccc2c(C)c1CC(C)C
InChIInChI=1S/C15H20N2O.C15H20N2.C15H19N.C14H15Cl.C13H16N2.C13H19NO2.C13H19N.C12H20N2.C12H17N.C12H19N.C11H18N2.C11H17N.C10H17N3O.C9H18N2O2/c1-10(2)13(15(18)16-3)8-11-9-17-14-7-5-4-6-12(11)14;1-9(2)7-13-10(3)8-14-12(11(13)4)5-6-17-15(14)16;1-11(2)6-7-12-8-9-14-13(10-12)4-3-5-15(14)16;1-10(2)7-11-3-4-13-9-14(15)6-5-12(13)8-11;1-9(2)7-10-3-4-12-11(8-10)5-6-15-13(12)14;1-9(2)12(13(16)14-3)8-10-4-6-11(15)7-5-10;1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-8(2)5-6-11-9(3)7-12(13)14-10(11)4;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-7(2)5-10-8(3)6-11(12)13-9(10)4;1-9(2)7-10-3-5-11(8-12)6-4-10;1-7(2)9(10(14)11-3)4-8-5-12-6-13-8;1-6(2)7(9(13)11-3)4-5-8(10)12/h4-7,9-10,13,17H,8H2,1-3H3,(H,16,18);5-6,8-9H,7H2,1-4H3,(H2,16,17);3-5,8-11H,6-7,16H2,1-2H3;3-6,8-10H,7H2,1-2H3;3-6,8-9H,7H2,1-2H3,(H2,14,15);4-7,9,12,15H,8H2,1-3H3,(H,14,16);6-10H,3-5,14H2,1-2H3;7-8H,5-6H2,1-4H3,(H2,13,14);4-7,9H,3,8,13H2,1-2H3;5-8,10H,3-4,9,13H2,1-2H3;6-7H,5H2,1-4H3,(H2,12,13);3-6,9H,7-8,12H2,1-2H3;5-7,9H,4H2,1-3H3,(H,11,14)(H,12,13);6-7H,4-5H2,1-3H3,(H2,10,12)(H,11,13)/t13-;;;;;12-;;;;;;;9-;/m1....1......1./s1
InChIKeyZMRUOUPSMABPCH-JTCYCPJESA-N
MW2783.55 g/mol
LogP37.72
Rot. Bonds45

About 2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine

2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 162162688) has the molecular formula C175H254ClN21O6 and a molecular weight of 2783.55 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine
PubChem CID162162688
Molecular FormulaC175H254ClN21O6
Molecular Weight2783.55 g/mol
Exact Mass2780.99
IUPAC Name2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine
SMILESC=C(N)c1ccc(CC(C)C)cc1.C=C(N)c1ccc(CCC(C)C)cc1.CC(C)CCc1ccc(CN)cc1.CC(C)CCc1ccc2c(N)cccc2c1.CC(C)Cc1ccc(CN)cc1.CC(C)Cc1ccc2c(N)nccc2c1.CC(C)Cc1ccc2cc(Cl)ccc2c1.CNC(=O)C(CCC(N)=O)C(C)C.CNC(=O)[C@H](Cc1c[nH]c2ccccc12)C(C)C.CNC(=O)[C@H](Cc1ccc(O)cc1)C(C)C.CNC(=O)[C@H](Cc1cnc[nH]1)C(C)C.Cc1cc(N)nc(C)c1CC(C)C.Cc1cc(N)nc(C)c1CCC(C)C.Cc1cc2c(N)nccc2c(C)c1CC(C)C
InChIInChI=1S/C15H20N2O.C15H20N2.C15H19N.C14H15Cl.C13H16N2.C13H19NO2.C13H19N.C12H20N2.C12H17N.C12H19N.C11H18N2.C11H17N.C10H17N3O.C9H18N2O2/c1-10(2)13(15(18)16-3)8-11-9-17-14-7-5-4-6-12(11)14;1-9(2)7-13-10(3)8-14-12(11(13)4)5-6-17-15(14)16;1-11(2)6-7-12-8-9-14-13(10-12)4-3-5-15(14)16;1-10(2)7-11-3-4-13-9-14(15)6-5-12(13)8-11;1-9(2)7-10-3-4-12-11(8-10)5-6-15-13(12)14;1-9(2)12(13(16)14-3)8-10-4-6-11(15)7-5-10;1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-8(2)5-6-11-9(3)7-12(13)14-10(11)4;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-7(2)5-10-8(3)6-11(12)13-9(10)4;1-9(2)7-10-3-5-11(8-12)6-4-10;1-7(2)9(10(14)11-3)4-8-5-12-6-13-8;1-6(2)7(9(13)11-3)4-5-8(10)12/h4-7,9-10,13,17H,8H2,1-3H3,(H,16,18);5-6,8-9H,7H2,1-4H3,(H2,16,17);3-5,8-11H,6-7,16H2,1-2H3;3-6,8-10H,7H2,1-2H3;3-6,8-9H,7H2,1-2H3,(H2,14,15);4-7,9,12,15H,8H2,1-3H3,(H,14,16);6-10H,3-5,14H2,1-2H3;7-8H,5-6H2,1-4H3,(H2,13,14);4-7,9H,3,8,13H2,1-2H3;5-8,10H,3-4,9,13H2,1-2H3;6-7H,5H2,1-4H3,(H2,12,13);3-6,9H,7-8,12H2,1-2H3;5-7,9H,4H2,1-3H3,(H,11,14)(H,12,13);6-7H,4-5H2,1-3H3,(H2,10,12)(H,11,13)/t13-;;;;;12-;;;;;;;9-;/m1....1......1./s1
InChIKeyZMRUOUPSMABPCH-JTCYCPJESA-N
XLogP37.72
TPSA509.93 Ų
H-Bond Donors17
H-Bond Acceptors20
Rotatable Bonds45
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002783.55
LogP ≤ 537.72
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine with MolForge

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Related Compounds

(2S)-N-[(2S)-1-[acetyl(naphthalen-2-yl)amino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide
CID 91363429
Ac-D-2Nal-D-Phe(4-Cl)-D-3Pal-Ser-Tyr-D-hCit-D-Leu-Lys(iPr)-Pro-D-Ala-NH2.H-Pyr-His-Trp-Ser-Tyr-D-Leu-Leu-Arg-Pro-NHEt
CID 87547017
Ac-D-2Nal-D-Phe(4-Cl)-D-3Pal-Ser-Tyr-D-Cit-Leu-Arg-Pro-D-Ala-NH2.H-Pyr-His-Trp-Ser-Tyr-D-Leu-Leu-Arg-Pro-NHEt
CID 87852622
deamino-Phe(4-Cl)-His-Trp-Ser-Tyr-D-N(naphth-2-yl)Ala-Leu-Arg-Pro-D-Ala-NH2
CID 153711832
6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chloro-4-hydroxyphenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2,6-dimethyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 157306006
2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;4-(2-methylpropyl)benzenecarboximidamide;6-(2-methylpropyl)isoquinolin-1-amine;[4-(2-methylpropyl)phenyl]methanamine
CID 157830637
CID 159924610
CID 159924610
(6S,9aS)-8-(3H-benzimidazol-5-ylmethyl)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide;(6S,9aS)-N-[(3,4-dichlorophenyl)methyl]-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide;(6S,9aR)-6-[(4-hydroxyphenyl)methyl]-1-(3-phenylpropanoyl)-2-prop-2-enyl-8-[(1R)-1-quinolin-8-ylethyl]-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione;(6S,9aS)-6-[(4-hydroxyphenyl)methyl]-1-(3-phenylpropanoyl)-2-prop-2-enyl-8-[(1S)-1-quinolin-8-ylethyl]-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-4,7-dione
CID 160499680
CID 161129837
CID 161129837
aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline
CID 161138422
2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butanamide;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;4-(2-methylpropyl)benzenecarboximidamide;6-(2-methylpropyl)isoquinolin-1-amine;[4-(2-methylpropyl)phenyl]methanamine
CID 163554167
2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butanamide;2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;4-(2-methylpropyl)benzenecarboximidamide;6-(2-methylpropyl)isoquinolin-1-amine;[4-(2-methylpropyl)phenyl]methanamine
CID 163554168

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine (CID 162162688) is 2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine is C=C(N)c1ccc(CC(C)C)cc1.C=C(N)c1ccc(CCC(C)C)cc1.CC(C)CCc1ccc(CN)cc1.CC(C)CCc1ccc2c(N)cccc2c1.CC(C)Cc1ccc(CN)cc1.CC(C)Cc1ccc2c(N)nccc2c1.CC(C)Cc1ccc2cc(Cl)ccc2c1.CNC(=O)C(CCC(N)=O)C(C)C.CNC(=O)[C@H](Cc1c[nH]c2ccccc12)C(C)C.CNC(=O)[C@H](Cc1ccc(O)cc1)C(C)C.CNC(=O)[C@H](Cc1cnc[nH]1)C(C)C.Cc1cc(N)nc(C)c1CC(C)C.Cc1cc(N)nc(C)c1CCC(C)C.Cc1cc2c(N)nccc2c(C)c1CC(C)C.
What is the InChIKey of 2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is ZMRUOUPSMABPCH-JTCYCPJESA-N. The full InChI is InChI=1S/C15H20N2O.C15H20N2.C15H19N.C14H15Cl.C13H16N2.C13H19NO2.C13H19N.C12H20N2.C12H17N.C12H19N.C11H18N2.C11H17N.C10H17N3O.C9H18N2O2/c1-10(2)13(15(18)16-3)8-11-9-17-14-7-5-4-6-12(11)14;1-9(2)7-13-10(3)8-14-12(11(13)4)5-6-17-15(14)16;1-11(2)6-7-12-8-9-14-13(10-12)4-3-5-15(14)16;1-10(2)7-11-3-4-13-9-14(15)6-5-12(13)8-11;1-9(2)7-10-3-4-12-11(8-10)5-6-15-13(12)14;1-9(2)12(13(16)14-3)8-10-4-6-11(15)7-5-10;1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-8(2)5-6-11-9(3)7-12(13)14-10(11)4;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-7(2)5-10-8(3)6-11(12)13-9(10)4;1-9(2)7-10-3-5-11(8-12)6-4-10;1-7(2)9(10(14)11-3)4-8-5-12-6-13-8;1-6(2)7(9(13)11-3)4-5-8(10)12/h4-7,9-10,13,17H,8H2,1-3H3,(H,16,18);5-6,8-9H,7H2,1-4H3,(H2,16,17);3-5,8-11H,6-7,16H2,1-2H3;3-6,8-10H,7H2,1-2H3;3-6,8-9H,7H2,1-2H3,(H2,14,15);4-7,9,12,15H,8H2,1-3H3,(H,14,16);6-10H,3-5,14H2,1-2H3;7-8H,5-6H2,1-4H3,(H2,13,14);4-7,9H,3,8,13H2,1-2H3;5-8,10H,3-4,9,13H2,1-2H3;6-7H,5H2,1-4H3,(H2,12,13);3-6,9H,7-8,12H2,1-2H3;5-7,9H,4H2,1-3H3,(H,11,14)(H,12,13);6-7H,4-5H2,1-3H3,(H2,10,12)(H,11,13)/t13-;;;;;12-;;;;;;;9-;/m1....1......1./s1.
What are the key properties of 2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine?
2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 2783.55 g/mol, XLogP of 37.72, 45 rotatable bonds, 17 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;(2R)-2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;(2R)-2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;(2R)-2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;(2R)-N-methyl-2-propan-2-ylpentanediamide;6-(2-methylpropyl)isoquinolin-1-amine;1-[4-(2-methylpropyl)phenyl]ethenamine;[4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 162162688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).