2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine

C12H19N — CID 123587669

IUPAC2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine
SMILESNC1CCC=CC1C1C=CCCC1
InChIInChI=1S/C12H19N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,4,6,8,10-12H,1,3,5,7,9,13H2
InChIKeyJHPVWZTUXRHYAI-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.64
Rot. Bonds1

About 2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine

2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine (PubChem CID 123587669) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine
PubChem CID123587669
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine
SMILESNC1CCC=CC1C1C=CCCC1
InChIInChI=1S/C12H19N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,4,6,8,10-12H,1,3,5,7,9,13H2
InChIKeyJHPVWZTUXRHYAI-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 44272699
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2-Cyclohex-2-en-1-ylethanamine
CID 21432851
1-Cyclohexylpent-4-en-1-amine
CID 64298707
(1S)-1-cyclohexylpent-4-en-1-amine
CID 124488146
Menthenamine
CID 129691874
2-Naphthalenamine, 1,2,4a,5,6,7,8,8a-octahydro-4a-methyl-
CID 572962
gamma,4-Dimethylcyclohexene-1-propan-1-amine
CID 13574688
4-Cyclooctene-1-methaneamine
CID 55288723
1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine
CID 71008416
cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine
CID 89175972
4-[2-(2,6-Difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine
CID 90382271

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine?
The IUPAC name of 2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine (CID 123587669) is 2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine.
What is the SMILES notation for 2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine?
The canonical SMILES for 2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine is NC1CCC=CC1C1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine?
The InChIKey is JHPVWZTUXRHYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,4,6,8,10-12H,1,3,5,7,9,13H2.
What are the key properties of 2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine?
2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-ylcyclohex-3-en-1-amine is sourced from PubChem (CID 123587669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).