N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine

C12H17ClN2 — CID 65029490

IUPACN-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC1(CCl)CCCC1
InChIInChI=1S/C12H17ClN2/c1-10-5-4-8-14-11(10)15-12(9-13)6-2-3-7-12/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,15)
InChIKeyOYMVJRBMCOJSIO-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.35
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine

N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine (PubChem CID 65029490) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine
PubChem CID65029490
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC1(CCl)CCCC1
InChIInChI=1S/C12H17ClN2/c1-10-5-4-8-14-11(10)15-12(9-13)6-2-3-7-12/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,15)
InChIKeyOYMVJRBMCOJSIO-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.35
H-Bond Donors ≤ 51
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 N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine (CID 65029490) is N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine is Cc1cccnc1NC1(CCl)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine?
The InChIKey is OYMVJRBMCOJSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-10-5-4-8-14-11(10)15-12(9-13)6-2-3-7-12/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,15).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine?
N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine has a molecular weight of 224.73 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 65029490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).