1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine

C13H23N3 — CID 106574006

IUPAC1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C(C)CC(C)CC
InChIInChI=1S/C13H23N3/c1-5-7-14-13-15-8-9-16(13)12(4)10-11(3)6-2/h5,8-9,11-12H,1,6-7,10H2,2-4H3,(H,14,15)
InChIKeyGYRPUBAFLKSGKD-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.48
Rot. Bonds7

About 1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine

1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106574006) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine
PubChem CID106574006
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C(C)CC(C)CC
InChIInChI=1S/C13H23N3/c1-5-7-14-13-15-8-9-16(13)12(4)10-11(3)6-2/h5,8-9,11-12H,1,6-7,10H2,2-4H3,(H,14,15)
InChIKeyGYRPUBAFLKSGKD-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-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

1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106573986
1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine
CID 106571277
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106565426
1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine
CID 106575242
N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine
CID 106570341
N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine
CID 106555846
1-[1-(dimethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106578657
1-[1-(diethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106566350
1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine
CID 106581355
1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106583268
N-(2-ethoxypropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106581219
N-butyl-1-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
CID 106581318

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine (CID 106574006) is 1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1C(C)CC(C)CC.
What is the InChIKey of 1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is GYRPUBAFLKSGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-7-14-13-15-8-9-16(13)12(4)10-11(3)6-2/h5,8-9,11-12H,1,6-7,10H2,2-4H3,(H,14,15).
What are the key properties of 1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine?
1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106574006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).