N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one

C140H196F3N15O5 — CID 165052648

IUPACN-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one
SMILESCC(C)CC(=O)Cc1ccncc1.CC(C)CC(=O)N(C)c1ccncc1.CC(C)CCCCc1ccncc1.CC(C)CCOc1ccncc1.CC(C)Cc1ccncc1C(F)(F)F.CC(C)Cc1ccncc1CCc1ccccc1.CC(C)Cc1ccncc1N1CCCCC1.CC(C)Cc1ccncc1NCc1ccccc1.CC(C)Cc1ccncc1OCc1ccccc1.CCN(CC)c1cnccc1CC(C)C.COc1cnccc1CC(C)C
InChIInChI=1S/C17H21N.C16H20N2.C16H19NO.C14H22N2.C13H22N2.C12H19N.C11H16N2O.C11H15NO.C10H12F3N.2C10H15NO/c1-14(2)12-16-10-11-18-13-17(16)9-8-15-6-4-3-5-7-15;1-13(2)10-15-8-9-17-12-16(15)18-11-14-6-4-3-5-7-14;1-13(2)10-15-8-9-17-11-16(15)18-12-14-6-4-3-5-7-14;1-12(2)10-13-6-7-15-11-14(13)16-8-4-3-5-9-16;1-5-15(6-2)13-10-14-8-7-12(13)9-11(3)4;1-11(2)5-3-4-6-12-7-9-13-10-8-12;1-9(2)8-11(14)13(3)10-4-6-12-7-5-10;1-9(2)7-11(13)8-10-3-5-12-6-4-10;1-7(2)5-8-3-4-14-6-9(8)10(11,12)13;1-9(2)5-8-12-10-3-6-11-7-4-10;1-8(2)6-9-4-5-11-7-10(9)12-3/h3-7,10-11,13-14H,8-9,12H2,1-2H3;3-9,12-13,18H,10-11H2,1-2H3;3-9,11,13H,10,12H2,1-2H3;6-7,11-12H,3-5,8-10H2,1-2H3;7-8,10-11H,5-6,9H2,1-4H3;7-11H,3-6H2,1-2H3;4-7,9H,8H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;4-5,7-8H,6H2,1-3H3
InChIKeyPXIRKLWIHMSDKO-UHFFFAOYSA-N
MW2226.20 g/mol
LogP34.09
Rot. Bonds44

About N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one

N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one (PubChem CID 165052648) has the molecular formula C140H196F3N15O5 and a molecular weight of 2226.20 g/mol. Its IUPAC name is N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one.

Molecular Properties

Compound NameN-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one
PubChem CID165052648
Molecular FormulaC140H196F3N15O5
Molecular Weight2226.20 g/mol
Exact Mass2224.55
IUPAC NameN-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one
SMILESCC(C)CC(=O)Cc1ccncc1.CC(C)CC(=O)N(C)c1ccncc1.CC(C)CCCCc1ccncc1.CC(C)CCOc1ccncc1.CC(C)Cc1ccncc1C(F)(F)F.CC(C)Cc1ccncc1CCc1ccccc1.CC(C)Cc1ccncc1N1CCCCC1.CC(C)Cc1ccncc1NCc1ccccc1.CC(C)Cc1ccncc1OCc1ccccc1.CCN(CC)c1cnccc1CC(C)C.COc1cnccc1CC(C)C
InChIInChI=1S/C17H21N.C16H20N2.C16H19NO.C14H22N2.C13H22N2.C12H19N.C11H16N2O.C11H15NO.C10H12F3N.2C10H15NO/c1-14(2)12-16-10-11-18-13-17(16)9-8-15-6-4-3-5-7-15;1-13(2)10-15-8-9-17-12-16(15)18-11-14-6-4-3-5-7-14;1-13(2)10-15-8-9-17-11-16(15)18-12-14-6-4-3-5-7-14;1-12(2)10-13-6-7-15-11-14(13)16-8-4-3-5-9-16;1-5-15(6-2)13-10-14-8-7-12(13)9-11(3)4;1-11(2)5-3-4-6-12-7-9-13-10-8-12;1-9(2)8-11(14)13(3)10-4-6-12-7-5-10;1-9(2)7-11(13)8-10-3-5-12-6-4-10;1-7(2)5-8-3-4-14-6-9(8)10(11,12)13;1-9(2)5-8-12-10-3-6-11-7-4-10;1-8(2)6-9-4-5-11-7-10(9)12-3/h3-7,10-11,13-14H,8-9,12H2,1-2H3;3-9,12-13,18H,10-11H2,1-2H3;3-9,11,13H,10,12H2,1-2H3;6-7,11-12H,3-5,8-10H2,1-2H3;7-8,10-11H,5-6,9H2,1-4H3;7-11H,3-6H2,1-2H3;4-7,9H,8H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;4-5,7-8H,6H2,1-3H3
InChIKeyPXIRKLWIHMSDKO-UHFFFAOYSA-N
XLogP34.09
TPSA225.37 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds44
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.20
LogP ≤ 534.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one?
The IUPAC name of N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one (CID 165052648) is N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one.
What is the SMILES notation for N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one?
The canonical SMILES for N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one is CC(C)CC(=O)Cc1ccncc1.CC(C)CC(=O)N(C)c1ccncc1.CC(C)CCCCc1ccncc1.CC(C)CCOc1ccncc1.CC(C)Cc1ccncc1C(F)(F)F.CC(C)Cc1ccncc1CCc1ccccc1.CC(C)Cc1ccncc1N1CCCCC1.CC(C)Cc1ccncc1NCc1ccccc1.CC(C)Cc1ccncc1OCc1ccccc1.CCN(CC)c1cnccc1CC(C)C.COc1cnccc1CC(C)C.
What is the InChIKey of N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one?
The InChIKey is PXIRKLWIHMSDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.C16H20N2.C16H19NO.C14H22N2.C13H22N2.C12H19N.C11H16N2O.C11H15NO.C10H12F3N.2C10H15NO/c1-14(2)12-16-10-11-18-13-17(16)9-8-15-6-4-3-5-7-15;1-13(2)10-15-8-9-17-12-16(15)18-11-14-6-4-3-5-7-14;1-13(2)10-15-8-9-17-11-16(15)18-12-14-6-4-3-5-7-14;1-12(2)10-13-6-7-15-11-14(13)16-8-4-3-5-9-16;1-5-15(6-2)13-10-14-8-7-12(13)9-11(3)4;1-11(2)5-3-4-6-12-7-9-13-10-8-12;1-9(2)8-11(14)13(3)10-4-6-12-7-5-10;1-9(2)7-11(13)8-10-3-5-12-6-4-10;1-7(2)5-8-3-4-14-6-9(8)10(11,12)13;1-9(2)5-8-12-10-3-6-11-7-4-10;1-8(2)6-9-4-5-11-7-10(9)12-3/h3-7,10-11,13-14H,8-9,12H2,1-2H3;3-9,12-13,18H,10-11H2,1-2H3;3-9,11,13H,10,12H2,1-2H3;6-7,11-12H,3-5,8-10H2,1-2H3;7-8,10-11H,5-6,9H2,1-4H3;7-11H,3-6H2,1-2H3;4-7,9H,8H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;4-5,7-8H,6H2,1-3H3.
What are the key properties of N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one?
N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one has a molecular weight of 2226.20 g/mol, XLogP of 34.09, 44 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one is sourced from PubChem (CID 165052648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).