2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine

C14H23N — CID 71235727

IUPAC2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine
SMILESCC1CC=CC([C@@H]2C=CCCC2)C1(C)N
InChIInChI=1S/C14H23N/c1-11-7-6-10-13(14(11,2)15)12-8-4-3-5-9-12/h4,6,8,10-13H,3,5,7,9,15H2,1-2H3/t11?,12-,13?,14?/m1/s1
InChIKeyJONALXVVCRBEAI-DBBXXEFVSA-N
MW205.34 g/mol
LogP3.27
Rot. Bonds1

About 2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine

2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine (PubChem CID 71235727) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine
PubChem CID71235727
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine
SMILESCC1CC=CC([C@@H]2C=CCCC2)C1(C)N
InChIInChI=1S/C14H23N/c1-11-7-6-10-13(14(11,2)15)12-8-4-3-5-9-12/h4,6,8,10-13H,3,5,7,9,15H2,1-2H3/t11?,12-,13?,14?/m1/s1
InChIKeyJONALXVVCRBEAI-DBBXXEFVSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.27
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]-1,6-dimethylcyclohex-3-en-1-amine?
The IUPAC name of 2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine (CID 71235727) is 2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine.
What is the SMILES notation for 2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine?
The canonical SMILES for 2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine is CC1CC=CC([C@@H]2C=CCCC2)C1(C)N.
What is the InChIKey of 2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine?
The InChIKey is JONALXVVCRBEAI-DBBXXEFVSA-N. The full InChI is InChI=1S/C14H23N/c1-11-7-6-10-13(14(11,2)15)12-8-4-3-5-9-12/h4,6,8,10-13H,3,5,7,9,15H2,1-2H3/t11?,12-,13?,14?/m1/s1.
What are the key properties of 2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine?
2-[(1S)-cyclohex-2-en-1-yl]-1,6-dimethylcyclohex-3-en-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.27, 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]-1,6-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 71235727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).