3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine

C10H13ClN2 — CID 81238671

IUPAC3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine
SMILESCN(c1ccncc1CCl)C1CC1
InChIInChI=1S/C10H13ClN2/c1-13(9-2-3-9)10-4-5-12-7-8(10)6-11/h4-5,7,9H,2-3,6H2,1H3
InChIKeyFAPPMHYVUQBCOD-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.42
Rot. Bonds3

About 3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine

3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine (PubChem CID 81238671) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine
PubChem CID81238671
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine
SMILESCN(c1ccncc1CCl)C1CC1
InChIInChI=1S/C10H13ClN2/c1-13(9-2-3-9)10-4-5-12-7-8(10)6-11/h4-5,7,9H,2-3,6H2,1H3
InChIKeyFAPPMHYVUQBCOD-UHFFFAOYSA-N
XLogP2.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.42
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 3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine?
The IUPAC name of 3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine (CID 81238671) is 3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine.
What is the SMILES notation for 3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine?
The canonical SMILES for 3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine is CN(c1ccncc1CCl)C1CC1.
What is the InChIKey of 3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine?
The InChIKey is FAPPMHYVUQBCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-13(9-2-3-9)10-4-5-12-7-8(10)6-11/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of 3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine?
3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine has a molecular weight of 196.68 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine is sourced from PubChem (CID 81238671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).