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

C14H21ClN2 — CID 112655636

IUPAC1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
SMILESCNC(Cc1ccncc1Cl)CC1CCCC1
InChIInChI=1S/C14H21ClN2/c1-16-13(8-11-4-2-3-5-11)9-12-6-7-17-10-14(12)15/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyZRKADSCYJOQZTJ-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.45
Rot. Bonds5

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

1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine (PubChem CID 112655636) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
PubChem CID112655636
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
SMILESCNC(Cc1ccncc1Cl)CC1CCCC1
InChIInChI=1S/C14H21ClN2/c1-16-13(8-11-4-2-3-5-11)9-12-6-7-17-10-14(12)15/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyZRKADSCYJOQZTJ-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine 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-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 65459954
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236
1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 115839945
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655545
1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860
3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569757
2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 115984863
1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 105157330
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655798
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
CID 81394526
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine (CID 112655636) is 1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine is CNC(Cc1ccncc1Cl)CC1CCCC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine?
The InChIKey is ZRKADSCYJOQZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-16-13(8-11-4-2-3-5-11)9-12-6-7-17-10-14(12)15/h6-7,10-11,13,16H,2-5,8-9H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine?
1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine has a molecular weight of 252.79 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine is sourced from PubChem (CID 112655636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).