N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine

C15H23ClN2 — CID 81034036

IUPACN-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1Cc1ccncc1Cl
InChIInChI=1S/C15H23ClN2/c1-2-7-17-10-14-5-3-4-12(14)9-13-6-8-18-11-15(13)16/h6,8,11-12,14,17H,2-5,7,9-10H2,1H3
InChIKeyHZIQMRDMNDMFNT-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.69
Rot. Bonds6

About N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine

N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 81034036) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID81034036
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1Cc1ccncc1Cl
InChIInChI=1S/C15H23ClN2/c1-2-7-17-10-14-5-3-4-12(14)9-13-6-8-18-11-15(13)16/h6,8,11-12,14,17H,2-5,7,9-10H2,1H3
InChIKeyHZIQMRDMNDMFNT-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.69
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-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
CID 81034147
N-[[2-[(2,4-dichlorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81033102
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 102621837
N-[[2-[(2-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028015
N-[[2-[(2-chloro-4-methylphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 106870972
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81026013
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81018063
N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81026825
N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034599
1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 81026182
N-[[2-[(2,6-dichlorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027643
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine (CID 81034036) is N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1Cc1ccncc1Cl.
What is the InChIKey of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is HZIQMRDMNDMFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-7-17-10-14-5-3-4-12(14)9-13-6-8-18-11-15(13)16/h6,8,11-12,14,17H,2-5,7,9-10H2,1H3.
What are the key properties of N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine?
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.69, 6 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]propan-1-amine is sourced from PubChem (CID 81034036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).