2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine

C10H19N3 — CID 18722286

IUPAC2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCc1cncn1C
InChIInChI=1S/C10H19N3/c1-9(2)6-11-5-4-10-7-12-8-13(10)3/h7-9,11H,4-6H2,1-3H3
InChIKeyPQBPTIULMBXFJR-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.21
Rot. Bonds5

About 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine

2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine (PubChem CID 18722286) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine
PubChem CID18722286
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCc1cncn1C
InChIInChI=1S/C10H19N3/c1-9(2)6-11-5-4-10-7-12-8-13(10)3/h7-9,11H,4-6H2,1-3H3
InChIKeyPQBPTIULMBXFJR-UHFFFAOYSA-N
XLogP1.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-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 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine (CID 18722286) is 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine is CC(C)CNCCc1cncn1C.
What is the InChIKey of 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine?
The InChIKey is PQBPTIULMBXFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)6-11-5-4-10-7-12-8-13(10)3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 18722286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).