3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine

C12H17ClN2 — CID 79840715

IUPAC3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine
SMILESCC(Nc1ccncc1Cl)C1CCCC1
InChIInChI=1S/C12H17ClN2/c1-9(10-4-2-3-5-10)15-12-6-7-14-8-11(12)13/h6-10H,2-5H2,1H3,(H,14,15)
InChIKeyCEIXTIXYJBNAAL-UHFFFAOYSA-N
MW224.74 g/mol
LogP3.73
Rot. Bonds3

About 3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine

3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine (PubChem CID 79840715) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine
PubChem CID79840715
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine
SMILESCC(Nc1ccncc1Cl)C1CCCC1
InChIInChI=1S/C12H17ClN2/c1-9(10-4-2-3-5-10)15-12-6-7-14-8-11(12)13/h6-10H,2-5H2,1H3,(H,14,15)
InChIKeyCEIXTIXYJBNAAL-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine?
The IUPAC name of 3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine (CID 79840715) is 3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine is CC(Nc1ccncc1Cl)C1CCCC1.
What is the InChIKey of 3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine?
The InChIKey is CEIXTIXYJBNAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9(10-4-2-3-5-10)15-12-6-7-14-8-11(12)13/h6-10H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine?
3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine has a molecular weight of 224.74 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine is sourced from PubChem (CID 79840715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).