2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine

C13H19N — CID 89394697

IUPAC2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C([C@@H]2CC=CCC2)CCC=C1
InChIInChI=1S/C13H19N/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-3,6,10-11,14H,4-5,7-9H2,1H3/t11-/m1/s1
InChIKeyOAZZDWLUOABKRR-LLVKDONJSA-N
MW189.30 g/mol
LogP3.17
Rot. Bonds2

About 2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine

2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 89394697) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID89394697
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C([C@@H]2CC=CCC2)CCC=C1
InChIInChI=1S/C13H19N/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-3,6,10-11,14H,4-5,7-9H2,1H3/t11-/m1/s1
InChIKeyOAZZDWLUOABKRR-LLVKDONJSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.17
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-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine (CID 89394697) is 2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine is CNC1=C([C@@H]2CC=CCC2)CCC=C1.
What is the InChIKey of 2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is OAZZDWLUOABKRR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-3,6,10-11,14H,4-5,7-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine?
2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89394697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).