4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine

C12H17ClN2 — CID 116540192

IUPAC4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine
SMILESCC1(Cc2ccnc(N)c2)CCC(Cl)C1
InChIInChI=1S/C12H17ClN2/c1-12(4-2-10(13)8-12)7-9-3-5-15-11(14)6-9/h3,5-6,10H,2,4,7-8H2,1H3,(H2,14,15)
InChIKeyUTHKXWCKSCOXID-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.00
Rot. Bonds2

About 4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine

4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine (PubChem CID 116540192) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine
PubChem CID116540192
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine
SMILESCC1(Cc2ccnc(N)c2)CCC(Cl)C1
InChIInChI=1S/C12H17ClN2/c1-12(4-2-10(13)8-12)7-9-3-5-15-11(14)6-9/h3,5-6,10H,2,4,7-8H2,1H3,(H2,14,15)
InChIKeyUTHKXWCKSCOXID-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.00
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 4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine (CID 116540192) is 4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine is CC1(Cc2ccnc(N)c2)CCC(Cl)C1.
What is the InChIKey of 4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine?
The InChIKey is UTHKXWCKSCOXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-12(4-2-10(13)8-12)7-9-3-5-15-11(14)6-9/h3,5-6,10H,2,4,7-8H2,1H3,(H2,14,15).
What are the key properties of 4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine?
4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine has a molecular weight of 224.73 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine is sourced from PubChem (CID 116540192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).