5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine

C13H19ClN2 — CID 61445168

IUPAC5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1ccc(CCl)cn1
InChIInChI=1S/C13H19ClN2/c1-2-7-16(10-11-3-4-11)13-6-5-12(8-14)9-15-13/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyOCZYOVVJJYQKIQ-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.45
Rot. Bonds6

About 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine

5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine (PubChem CID 61445168) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
PubChem CID61445168
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1ccc(CCl)cn1
InChIInChI=1S/C13H19ClN2/c1-2-7-16(10-11-3-4-11)13-6-5-12(8-14)9-15-13/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyOCZYOVVJJYQKIQ-UHFFFAOYSA-N
XLogP3.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.45
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 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine (CID 61445168) is 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine is CCCN(CC1CC1)c1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
The InChIKey is OCZYOVVJJYQKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-7-16(10-11-3-4-11)13-6-5-12(8-14)9-15-13/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine has a molecular weight of 238.76 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 61445168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).