N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine

C14H22N2 — CID 63823125

IUPACN-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine
SMILESCC1(CNCCc2cccnc2)CCCC1
InChIInChI=1S/C14H22N2/c1-14(7-2-3-8-14)12-16-10-6-13-5-4-9-15-11-13/h4-5,9,11,16H,2-3,6-8,10,12H2,1H3
InChIKeyCDOIZVOHLRSYGU-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.79
Rot. Bonds5

About N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine

N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 63823125) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine
PubChem CID63823125
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine
SMILESCC1(CNCCc2cccnc2)CCCC1
InChIInChI=1S/C14H22N2/c1-14(7-2-3-8-14)12-16-10-6-13-5-4-9-15-11-13/h4-5,9,11,16H,2-3,6-8,10,12H2,1H3
InChIKeyCDOIZVOHLRSYGU-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
N-[(2-methylthiolan-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 80722313
4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65118345
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 106813065
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine
CID 63821311
N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine
CID 63265124
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine (CID 63823125) is N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine is CC1(CNCCc2cccnc2)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is CDOIZVOHLRSYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(7-2-3-8-14)12-16-10-6-13-5-4-9-15-11-13/h4-5,9,11,16H,2-3,6-8,10,12H2,1H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine?
N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 63823125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).