1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine

C14H23N3 — CID 106571277

IUPAC1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C(C)C1CCCCC1
InChIInChI=1S/C14H23N3/c1-3-9-15-14-16-10-11-17(14)12(2)13-7-5-4-6-8-13/h3,10-13H,1,4-9H2,2H3,(H,15,16)
InChIKeyYZKOOUNTTAKFTQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.62
Rot. Bonds5

About 1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine

1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106571277) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106571277
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C(C)C1CCCCC1
InChIInChI=1S/C14H23N3/c1-3-9-15-14-16-10-11-17(14)12(2)13-7-5-4-6-8-13/h3,10-13H,1,4-9H2,2H3,(H,15,16)
InChIKeyYZKOOUNTTAKFTQ-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106571263
1-(1-cyclobutylethyl)-N-propan-2-ylimidazol-2-amine
CID 106582705
1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine
CID 106574006
1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine
CID 106574657
N-(2-cyclohexylethyl)-1-propan-2-ylimidazol-2-amine
CID 106563351
1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
CID 106562639
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106565426
N-(1-cyclopentylethyl)-1-propan-2-ylimidazol-2-amine
CID 106573564
1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine
CID 106575242
1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine
CID 106582648
1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine
CID 106563055
1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106581944

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine (CID 106571277) is 1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1C(C)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is YZKOOUNTTAKFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-9-15-14-16-10-11-17(14)12(2)13-7-5-4-6-8-13/h3,10-13H,1,4-9H2,2H3,(H,15,16).
What are the key properties of 1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine?
1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106571277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).