2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine

C102H165N15 — CID 158027826

IUPAC2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine
SMILESCC(C)C(N)CCc1ccccc1.CC(C)C(N)CCc1ccccn1.CC(C)C(N)CCc1cccnc1.CC(C)CC(N)Cc1cccnc1.CC(C)C[C@@H](N)Cc1cccnc1.CC(C)C[C@H](CN)c1ccccn1.CC(C)C[C@H](N)Cc1cccnc1.CCC(CC(C)C)c1ccccn1.CC[C@H](CC(C)C)c1ccccn1
InChIInChI=1S/3C12H19N.6C11H18N2/c1-10(2)12(13)9-8-11-6-4-3-5-7-11;2*1-4-11(9-10(2)3)12-7-5-6-8-13-12;1-9(2)11(12)6-5-10-4-3-7-13-8-10;3*1-9(2)6-11(12)7-10-4-3-5-13-8-10;1-9(2)11(12)7-6-10-5-3-4-8-13-10;1-9(2)7-10(8-12)11-5-3-4-6-13-11/h3-7,10,12H,8-9,13H2,1-2H3;2*5-8,10-11H,4,9H2,1-3H3;3-4,7-9,11H,5-6,12H2,1-2H3;4*3-5,8-9,11H,6-7,12H2,1-2H3;3-6,9-10H,7-8,12H2,1-2H3/t;11-;;;2*11-;;;10-/m.1..10..1/s1
InChIKeyFGURTWBGDBIRPN-IJPVGHHUSA-N
MW1601.55 g/mol
LogP22.00
Rot. Bonds36

About 2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine

2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine (PubChem CID 158027826) has the molecular formula C102H165N15 and a molecular weight of 1601.55 g/mol. Its IUPAC name is 2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine.

Molecular Properties

Compound Name2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine
PubChem CID158027826
Molecular FormulaC102H165N15
Molecular Weight1601.55 g/mol
Exact Mass1600.34
IUPAC Name2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine
SMILESCC(C)C(N)CCc1ccccc1.CC(C)C(N)CCc1ccccn1.CC(C)C(N)CCc1cccnc1.CC(C)CC(N)Cc1cccnc1.CC(C)C[C@@H](N)Cc1cccnc1.CC(C)C[C@H](CN)c1ccccn1.CC(C)C[C@H](N)Cc1cccnc1.CCC(CC(C)C)c1ccccn1.CC[C@H](CC(C)C)c1ccccn1
InChIInChI=1S/3C12H19N.6C11H18N2/c1-10(2)12(13)9-8-11-6-4-3-5-7-11;2*1-4-11(9-10(2)3)12-7-5-6-8-13-12;1-9(2)11(12)6-5-10-4-3-7-13-8-10;3*1-9(2)6-11(12)7-10-4-3-5-13-8-10;1-9(2)11(12)7-6-10-5-3-4-8-13-10;1-9(2)7-10(8-12)11-5-3-4-6-13-11/h3-7,10,12H,8-9,13H2,1-2H3;2*5-8,10-11H,4,9H2,1-3H3;3-4,7-9,11H,5-6,12H2,1-2H3;4*3-5,8-9,11H,6-7,12H2,1-2H3;3-6,9-10H,7-8,12H2,1-2H3/t;11-;;;2*11-;;;10-/m.1..10..1/s1
InChIKeyFGURTWBGDBIRPN-IJPVGHHUSA-N
XLogP22.00
TPSA285.26 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001601.55
LogP ≤ 522.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
4-methyl-2-pyridin-2-ylheptan-1-amine
CID 54593230
(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine
CID 95241708
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-(2-pyridin-3-ylbutyl)pyridine
CID 123892989
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
3-methylpyridine;propylbenzene;2-propylpyridine
CID 142009521
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899
4-ethyl-1-pyridin-3-yloctan-2-amine
CID 55087038
1-pyridin-3-ylhexan-3-amine
CID 64506028

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine?
The IUPAC name of 2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine (CID 158027826) is 2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine.
What is the SMILES notation for 2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine?
The canonical SMILES for 2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine is CC(C)C(N)CCc1ccccc1.CC(C)C(N)CCc1ccccn1.CC(C)C(N)CCc1cccnc1.CC(C)CC(N)Cc1cccnc1.CC(C)C[C@@H](N)Cc1cccnc1.CC(C)C[C@H](CN)c1ccccn1.CC(C)C[C@H](N)Cc1cccnc1.CCC(CC(C)C)c1ccccn1.CC[C@H](CC(C)C)c1ccccn1.
What is the InChIKey of 2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine?
The InChIKey is FGURTWBGDBIRPN-IJPVGHHUSA-N. The full InChI is InChI=1S/3C12H19N.6C11H18N2/c1-10(2)12(13)9-8-11-6-4-3-5-7-11;2*1-4-11(9-10(2)3)12-7-5-6-8-13-12;1-9(2)11(12)6-5-10-4-3-7-13-8-10;3*1-9(2)6-11(12)7-10-4-3-5-13-8-10;1-9(2)11(12)7-6-10-5-3-4-8-13-10;1-9(2)7-10(8-12)11-5-3-4-6-13-11/h3-7,10,12H,8-9,13H2,1-2H3;2*5-8,10-11H,4,9H2,1-3H3;3-4,7-9,11H,5-6,12H2,1-2H3;4*3-5,8-9,11H,6-7,12H2,1-2H3;3-6,9-10H,7-8,12H2,1-2H3/t;11-;;;2*11-;;;10-/m.1..10..1/s1.
What are the key properties of 2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine?
2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine has a molecular weight of 1601.55 g/mol, XLogP of 22.00, 36 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-methylhexan-3-yl]pyridine;2-(5-methylhexan-3-yl)pyridine;4-methyl-1-phenylpentan-3-amine;(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-1-pyridin-3-ylpentan-2-amine;(2R)-4-methyl-2-pyridin-2-ylpentan-1-amine;4-methyl-1-pyridin-2-ylpentan-3-amine;4-methyl-1-pyridin-3-ylpentan-2-amine;4-methyl-1-pyridin-3-ylpentan-3-amine is sourced from PubChem (CID 158027826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).