N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine

C14H22N2 — CID 63821311

IUPACN-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCC1(C)CCCC1)c1cccnc1
InChIInChI=1S/C14H22N2/c1-12(13-6-5-9-15-10-13)16-11-14(2)7-3-4-8-14/h5-6,9-10,12,16H,3-4,7-8,11H2,1-2H3
InChIKeyVLEGJQYXVOMJSE-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.31
Rot. Bonds4

About N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine

N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 63821311) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine
PubChem CID63821311
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCC1(C)CCCC1)c1cccnc1
InChIInChI=1S/C14H22N2/c1-12(13-6-5-9-15-10-13)16-11-14(2)7-3-4-8-14/h5-6,9-10,12,16H,3-4,7-8,11H2,1-2H3
InChIKeyVLEGJQYXVOMJSE-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine 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

1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
CID 81405097
N-[(1-methylcyclopentyl)methyl]-1-pyridin-4-ylethanamine
CID 63820570
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 102848150
N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-3-ylethanamine
CID 43363226
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
N-(1-pyridin-3-ylethyl)spiro[4.5]decan-8-amine
CID 114817153
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine (CID 63821311) is N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine is CC(NCC1(C)CCCC1)c1cccnc1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is VLEGJQYXVOMJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(13-6-5-9-15-10-13)16-11-14(2)7-3-4-8-14/h5-6,9-10,12,16H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine?
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 218.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 63821311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).