3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine

C14H21ClN2 — CID 112569757

IUPAC3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine
SMILESCNCC(Cc1ccncc1Cl)C1CCCC1
InChIInChI=1S/C14H21ClN2/c1-16-9-13(11-4-2-3-5-11)8-12-6-7-17-10-14(12)15/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyKIAMGXKPMPVDNM-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.30
Rot. Bonds5

About 3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine

3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine (PubChem CID 112569757) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine
PubChem CID112569757
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine
SMILESCNCC(Cc1ccncc1Cl)C1CCCC1
InChIInChI=1S/C14H21ClN2/c1-16-9-13(11-4-2-3-5-11)8-12-6-7-17-10-14(12)15/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyKIAMGXKPMPVDNM-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

1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 112655636
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655545
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
CID 81394526
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655798
2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 115984863
[2-(3-chloro-4-pyridinyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231726
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655734
2-cyclopentyl-N-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 112569760
4-[2-bromo-2-(oxan-2-yl)ethyl]-3-chloropyridine
CID 112656195
2-cyclohexyl-N-methyl-3-phenylpropan-1-amine
CID 82931379
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79432117

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine (CID 112569757) is 3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine is CNCC(Cc1ccncc1Cl)C1CCCC1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine?
The InChIKey is KIAMGXKPMPVDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-16-9-13(11-4-2-3-5-11)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 3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine?
3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine 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 3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine is sourced from PubChem (CID 112569757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).