(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine

C16H20N2 — CID 95121332

IUPAC(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
SMILESCC[C@@H](c1cccnc1)N(C)Cc1ccccc1
InChIInChI=1S/C16H20N2/c1-3-16(15-10-7-11-17-12-15)18(2)13-14-8-5-4-6-9-14/h4-12,16H,3,13H2,1-2H3/t16-/m0/s1
InChIKeyYNLUUUIGLRCYQY-INIZCTEOSA-N
MW240.35 g/mol
LogP3.66
Rot. Bonds5

About (1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine

(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine (PubChem CID 95121332) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
PubChem CID95121332
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
SMILESCC[C@@H](c1cccnc1)N(C)Cc1ccccc1
InChIInChI=1S/C16H20N2/c1-3-16(15-10-7-11-17-12-15)18(2)13-14-8-5-4-6-9-14/h4-12,16H,3,13H2,1-2H3/t16-/m0/s1
InChIKeyYNLUUUIGLRCYQY-INIZCTEOSA-N
XLogP3.66
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 56714057
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
(1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine
CID 95131581
2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 43563291
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 55017455
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
CID 65483700
5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol
CID 95230670
N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
CID 110753905
N'-benzyl-N'-methyl-1-phenylmethanediamine
CID 118464289
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729

Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of (1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine (CID 95121332) is (1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for (1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for (1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine is CC[C@@H](c1cccnc1)N(C)Cc1ccccc1.
What is the InChIKey of (1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine?
The InChIKey is YNLUUUIGLRCYQY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-16(15-10-7-11-17-12-15)18(2)13-14-8-5-4-6-9-14/h4-12,16H,3,13H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine?
(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 95121332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).