1-ethyl-N-heptan-2-ylimidazol-2-amine

C12H23N3 — CID 62137318

IUPAC1-ethyl-N-heptan-2-ylimidazol-2-amine
SMILESCCCCCC(C)Nc1nccn1CC
InChIInChI=1S/C12H23N3/c1-4-6-7-8-11(3)14-12-13-9-10-15(12)5-2/h9-11H,4-8H2,1-3H3,(H,13,14)
InChIKeyVHSYSMHOINRKJF-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.28
Rot. Bonds7

About 1-ethyl-N-heptan-2-ylimidazol-2-amine

1-ethyl-N-heptan-2-ylimidazol-2-amine (PubChem CID 62137318) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-ethyl-N-heptan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-heptan-2-ylimidazol-2-amine
PubChem CID62137318
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-ethyl-N-heptan-2-ylimidazol-2-amine
SMILESCCCCCC(C)Nc1nccn1CC
InChIInChI=1S/C12H23N3/c1-4-6-7-8-11(3)14-12-13-9-10-15(12)5-2/h9-11H,4-8H2,1-3H3,(H,13,14)
InChIKeyVHSYSMHOINRKJF-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-N-heptan-2-ylimidazol-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

Related Compounds

3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 62139161
1-(3-ethoxypropyl)-N-octan-2-ylimidazol-2-amine
CID 106564944
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209
1-ethyl-N-octylimidazol-2-amine
CID 115568972
1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
CID 62138049
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 62995363
N-(1-cyclopropylethyl)-1-ethylimidazol-2-amine
CID 62136953
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523
1-butyl-N-(1-cyclopropylpropan-2-yl)imidazol-2-amine
CID 106572756
N-methyl-1-octan-2-ylimidazol-2-amine
CID 106564926
N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine
CID 62565525

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-heptan-2-ylimidazol-2-amine?
The IUPAC name of 1-ethyl-N-heptan-2-ylimidazol-2-amine (CID 62137318) is 1-ethyl-N-heptan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-heptan-2-ylimidazol-2-amine?
The canonical SMILES for 1-ethyl-N-heptan-2-ylimidazol-2-amine is CCCCCC(C)Nc1nccn1CC.
What is the InChIKey of 1-ethyl-N-heptan-2-ylimidazol-2-amine?
The InChIKey is VHSYSMHOINRKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-7-8-11(3)14-12-13-9-10-15(12)5-2/h9-11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 1-ethyl-N-heptan-2-ylimidazol-2-amine?
1-ethyl-N-heptan-2-ylimidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-heptan-2-ylimidazol-2-amine is sourced from PubChem (CID 62137318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).