4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine

C12H17ClN2 — CID 61255965

IUPAC4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine
SMILESCN(c1cc(CCl)ccn1)C1CCCC1
InChIInChI=1S/C12H17ClN2/c1-15(11-4-2-3-5-11)12-8-10(9-13)6-7-14-12/h6-8,11H,2-5,9H2,1H3
InChIKeyBIVXXZBXNPBJHO-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.20
Rot. Bonds3

About 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine

4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine (PubChem CID 61255965) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine
PubChem CID61255965
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine
SMILESCN(c1cc(CCl)ccn1)C1CCCC1
InChIInChI=1S/C12H17ClN2/c1-15(11-4-2-3-5-11)12-8-10(9-13)6-7-14-12/h6-8,11H,2-5,9H2,1H3
InChIKeyBIVXXZBXNPBJHO-UHFFFAOYSA-N
XLogP3.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine (CID 61255965) is 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine is CN(c1cc(CCl)ccn1)C1CCCC1.
What is the InChIKey of 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine?
The InChIKey is BIVXXZBXNPBJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-15(11-4-2-3-5-11)12-8-10(9-13)6-7-14-12/h6-8,11H,2-5,9H2,1H3.
What are the key properties of 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine?
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine has a molecular weight of 224.73 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-2-amine is sourced from PubChem (CID 61255965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).