N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine

C14H21ClN2 — CID 81034147

IUPACN-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1ccncc1Cl
InChIInChI=1S/C14H21ClN2/c1-2-16-9-13-5-3-4-11(13)8-12-6-7-17-10-14(12)15/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeySMPBUXAHWSOYOG-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.30
Rot. Bonds5

About N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine

N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine (PubChem CID 81034147) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
PubChem CID81034147
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1ccncc1Cl
InChIInChI=1S/C14H21ClN2/c1-2-16-9-13-5-3-4-11(13)8-12-6-7-17-10-14(12)15/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeySMPBUXAHWSOYOG-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034036
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81018063
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034599
N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017504
1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 81026182
N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033027
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine
CID 112645572
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303
N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 107361249
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine
CID 81026356

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine (CID 81034147) is N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine is CCNCC1CCCC1Cc1ccncc1Cl.
What is the InChIKey of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine?
The InChIKey is SMPBUXAHWSOYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-16-9-13-5-3-4-11(13)8-12-6-7-17-10-14(12)15/h6-7,10-11,13,16H,2-5,8-9H2,1H3.
What are the key properties of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine?
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 81034147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).