3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine

C12H17ClN2 — CID 61255764

IUPAC3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine
SMILESCCCN(c1ncccc1CCl)C1CC1
InChIInChI=1S/C12H17ClN2/c1-2-8-15(11-5-6-11)12-10(9-13)4-3-7-14-12/h3-4,7,11H,2,5-6,8-9H2,1H3
InChIKeyDRVROLDJSHUOIX-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.20
Rot. Bonds5

About 3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine

3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine (PubChem CID 61255764) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine
PubChem CID61255764
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine
SMILESCCCN(c1ncccc1CCl)C1CC1
InChIInChI=1S/C12H17ClN2/c1-2-8-15(11-5-6-11)12-10(9-13)4-3-7-14-12/h3-4,7,11H,2,5-6,8-9H2,1H3
InChIKeyDRVROLDJSHUOIX-UHFFFAOYSA-N
XLogP3.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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 3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine (CID 61255764) is 3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine is CCCN(c1ncccc1CCl)C1CC1.
What is the InChIKey of 3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine?
The InChIKey is DRVROLDJSHUOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-2-8-15(11-5-6-11)12-10(9-13)4-3-7-14-12/h3-4,7,11H,2,5-6,8-9H2,1H3.
What are the key properties of 3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine?
3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine has a molecular weight of 224.73 g/mol, XLogP of 3.20, 5 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-propylpyridin-2-amine is sourced from PubChem (CID 61255764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).