N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine

C12H19ClN2 — CID 61256376

IUPACN-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine
SMILESCCCCN(CC)c1ccc(CCl)cn1
InChIInChI=1S/C12H19ClN2/c1-3-5-8-15(4-2)12-7-6-11(9-13)10-14-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyUFVZRYCZWUJSIC-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.45
Rot. Bonds6

About N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine

N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine (PubChem CID 61256376) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound NameN-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine
PubChem CID61256376
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine
SMILESCCCCN(CC)c1ccc(CCl)cn1
InChIInChI=1S/C12H19ClN2/c1-3-5-8-15(4-2)12-7-6-11(9-13)10-14-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyUFVZRYCZWUJSIC-UHFFFAOYSA-N
XLogP3.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine?
The IUPAC name of N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine (CID 61256376) is N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine is CCCCN(CC)c1ccc(CCl)cn1.
What is the InChIKey of N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine?
The InChIKey is UFVZRYCZWUJSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-3-5-8-15(4-2)12-7-6-11(9-13)10-14-12/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine?
N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine has a molecular weight of 226.75 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 N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 61256376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).