2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine

C12H19N — CID 89394815

IUPAC2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine
SMILESNC1CCC=CC1[C@@H]1C=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/t10-,11?,12?/m1/s1
InChIKeyJHPVWZTUXRHYAI-VOMCLLRMSA-N
MW177.29 g/mol
LogP2.64
Rot. Bonds1

About 2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine

2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine (PubChem CID 89394815) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine
PubChem CID89394815
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine
SMILESNC1CCC=CC1[C@@H]1C=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/t10-,11?,12?/m1/s1
InChIKeyJHPVWZTUXRHYAI-VOMCLLRMSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine?
The IUPAC name of 2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine (CID 89394815) is 2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine.
What is the SMILES notation for 2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine?
The canonical SMILES for 2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine is NC1CCC=CC1[C@@H]1C=CCCC1.
What is the InChIKey of 2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine?
The InChIKey is JHPVWZTUXRHYAI-VOMCLLRMSA-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/t10-,11?,12?/m1/s1.
What are the key properties of 2-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine?
2-[(1S)-cyclohex-2-en-1-yl]cyclohex-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-[(1S)-cyclohex-2-en-1-yl]cyclohex-3-en-1-amine is sourced from PubChem (CID 89394815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).