1,2,4-tris(ethenyl)cyclohexan-1-amine

C12H19N — CID 77378303

IUPAC1,2,4-tris(ethenyl)cyclohexan-1-amine
SMILESC=CC1CCC(N)(C=C)C(C=C)C1
InChIInChI=1S/C12H19N/c1-4-10-7-8-12(13,6-3)11(5-2)9-10/h4-6,10-11H,1-3,7-9,13H2
InChIKeyNZFSZLDMQXUIEL-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.66
Rot. Bonds3

About 1,2,4-tris(ethenyl)cyclohexan-1-amine

1,2,4-tris(ethenyl)cyclohexan-1-amine (PubChem CID 77378303) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1,2,4-tris(ethenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1,2,4-tris(ethenyl)cyclohexan-1-amine
PubChem CID77378303
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1,2,4-tris(ethenyl)cyclohexan-1-amine
SMILESC=CC1CCC(N)(C=C)C(C=C)C1
InChIInChI=1S/C12H19N/c1-4-10-7-8-12(13,6-3)11(5-2)9-10/h4-6,10-11H,1-3,7-9,13H2
InChIKeyNZFSZLDMQXUIEL-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,2,4-tris(ethenyl)cyclohexan-1-amine?
The IUPAC name of 1,2,4-tris(ethenyl)cyclohexan-1-amine (CID 77378303) is 1,2,4-tris(ethenyl)cyclohexan-1-amine.
What is the SMILES notation for 1,2,4-tris(ethenyl)cyclohexan-1-amine?
The canonical SMILES for 1,2,4-tris(ethenyl)cyclohexan-1-amine is C=CC1CCC(N)(C=C)C(C=C)C1.
What is the InChIKey of 1,2,4-tris(ethenyl)cyclohexan-1-amine?
The InChIKey is NZFSZLDMQXUIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-10-7-8-12(13,6-3)11(5-2)9-10/h4-6,10-11H,1-3,7-9,13H2.
What are the key properties of 1,2,4-tris(ethenyl)cyclohexan-1-amine?
1,2,4-tris(ethenyl)cyclohexan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tris(ethenyl)cyclohexan-1-amine is sourced from PubChem (CID 77378303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).