2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine

C12H15ClN2 — CID 103844205

IUPAC2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine
SMILESClc1cc(NCCC2=CCCC2)ccn1
InChIInChI=1S/C12H15ClN2/c13-12-9-11(6-8-15-12)14-7-5-10-3-1-2-4-10/h3,6,8-9H,1-2,4-5,7H2,(H,14,15)
InChIKeyWREKYGHXVRIVFA-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.65
Rot. Bonds4

About 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine

2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine (PubChem CID 103844205) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine
PubChem CID103844205
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine
SMILESClc1cc(NCCC2=CCCC2)ccn1
InChIInChI=1S/C12H15ClN2/c13-12-9-11(6-8-15-12)14-7-5-10-3-1-2-4-10/h3,6,8-9H,1-2,4-5,7H2,(H,14,15)
InChIKeyWREKYGHXVRIVFA-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine
CID 106177618
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109205585
4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
CID 106166027
4-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109202082
3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 106177550
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
CID 103844256
2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine
CID 133415553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine (CID 103844205) is 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine is Clc1cc(NCCC2=CCCC2)ccn1.
What is the InChIKey of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine?
The InChIKey is WREKYGHXVRIVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-12-9-11(6-8-15-12)14-7-5-10-3-1-2-4-10/h3,6,8-9H,1-2,4-5,7H2,(H,14,15).
What are the key properties of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine?
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine has a molecular weight of 222.72 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 103844205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).