1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine

C14H23N3 — CID 106574657

IUPAC1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C1CCC(C)(C)CC1
InChIInChI=1S/C14H23N3/c1-4-9-15-13-16-10-11-17(13)12-5-7-14(2,3)8-6-12/h4,10-12H,1,5-9H2,2-3H3,(H,15,16)
InChIKeyKXGUCYNSJRXTLX-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.62
Rot. Bonds4

About 1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine

1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106574657) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106574657
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C1CCC(C)(C)CC1
InChIInChI=1S/C14H23N3/c1-4-9-15-13-16-10-11-17(13)12-5-7-14(2,3)8-6-12/h4,10-12H,1,5-9H2,2-3H3,(H,15,16)
InChIKeyKXGUCYNSJRXTLX-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine (CID 106574657) is 1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is KXGUCYNSJRXTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-9-15-13-16-10-11-17(13)12-5-7-14(2,3)8-6-12/h4,10-12H,1,5-9H2,2-3H3,(H,15,16).
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine?
1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106574657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).