3-ethenyl-3,5,5-trimethylcyclohexan-1-amine

C11H21N — CID 20692166

IUPAC3-ethenyl-3,5,5-trimethylcyclohexan-1-amine
SMILESC=CC1(C)CC(N)CC(C)(C)C1
InChIInChI=1S/C11H21N/c1-5-11(4)7-9(12)6-10(2,3)8-11/h5,9H,1,6-8,12H2,2-4H3
InChIKeyHENOEHZEAOFWAP-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.72
Rot. Bonds1

About 3-ethenyl-3,5,5-trimethylcyclohexan-1-amine

3-ethenyl-3,5,5-trimethylcyclohexan-1-amine (PubChem CID 20692166) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-ethenyl-3,5,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-ethenyl-3,5,5-trimethylcyclohexan-1-amine
PubChem CID20692166
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-ethenyl-3,5,5-trimethylcyclohexan-1-amine
SMILESC=CC1(C)CC(N)CC(C)(C)C1
InChIInChI=1S/C11H21N/c1-5-11(4)7-9(12)6-10(2,3)8-11/h5,9H,1,6-8,12H2,2-4H3
InChIKeyHENOEHZEAOFWAP-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.72
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 3-ethenyl-3,5,5-trimethylcyclohexan-1-amine?
The IUPAC name of 3-ethenyl-3,5,5-trimethylcyclohexan-1-amine (CID 20692166) is 3-ethenyl-3,5,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 3-ethenyl-3,5,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 3-ethenyl-3,5,5-trimethylcyclohexan-1-amine is C=CC1(C)CC(N)CC(C)(C)C1.
What is the InChIKey of 3-ethenyl-3,5,5-trimethylcyclohexan-1-amine?
The InChIKey is HENOEHZEAOFWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-11(4)7-9(12)6-10(2,3)8-11/h5,9H,1,6-8,12H2,2-4H3.
What are the key properties of 3-ethenyl-3,5,5-trimethylcyclohexan-1-amine?
3-ethenyl-3,5,5-trimethylcyclohexan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,5,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 20692166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).