2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine

C10H21N3 — CID 66716539

IUPAC2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine
SMILESCCCCN1C=C(CCN)N(C)C1
InChIInChI=1S/C10H21N3/c1-3-4-7-13-8-10(5-6-11)12(2)9-13/h8H,3-7,9,11H2,1-2H3
InChIKeyHYLYITPGWGXTGW-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.18
Rot. Bonds5

About 2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine

2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine (PubChem CID 66716539) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine
PubChem CID66716539
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine
SMILESCCCCN1C=C(CCN)N(C)C1
InChIInChI=1S/C10H21N3/c1-3-4-7-13-8-10(5-6-11)12(2)9-13/h8H,3-7,9,11H2,1-2H3
InChIKeyHYLYITPGWGXTGW-UHFFFAOYSA-N
XLogP1.18
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-butyl-3-methyl-2H-imidazole
CID 10265934
3-butyl-5-methyl-2H-1,3-thiazole
CID 67403443
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine?
The IUPAC name of 2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine (CID 66716539) is 2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine is CCCCN1C=C(CCN)N(C)C1.
What is the InChIKey of 2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine?
The InChIKey is HYLYITPGWGXTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-4-7-13-8-10(5-6-11)12(2)9-13/h8H,3-7,9,11H2,1-2H3.
What are the key properties of 2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine?
2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine has a molecular weight of 183.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-3-methyl-2H-imidazol-4-yl)ethanamine is sourced from PubChem (CID 66716539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).