(1S,2S)-cyclohex-3-ene-1,2-diamine

C6H12N2 — CID 11194740

IUPAC(1S,2S)-cyclohex-3-ene-1,2-diamine
SMILESN[C@H]1C=CCC[C@@H]1N
InChIInChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h1,3,5-6H,2,4,7-8H2/t5-,6-/m0/s1
InChIKeyJKOVPYIQCZTDND-WDSKDSINSA-N
MW112.18 g/mol
LogP-0.01
Rot. Bonds

About (1S,2S)-cyclohex-3-ene-1,2-diamine

(1S,2S)-cyclohex-3-ene-1,2-diamine (PubChem CID 11194740) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1S,2S)-cyclohex-3-ene-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-cyclohex-3-ene-1,2-diamine
PubChem CID11194740
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1S,2S)-cyclohex-3-ene-1,2-diamine
SMILESN[C@H]1C=CCC[C@@H]1N
InChIInChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h1,3,5-6H,2,4,7-8H2/t5-,6-/m0/s1
InChIKeyJKOVPYIQCZTDND-WDSKDSINSA-N
XLogP-0.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2S)-cyclohex-3-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,6R)-6-aminocyclohex-2-en-1-ol
CID 55284350
6-methylsulfanylcyclohex-2-en-1-amine
CID 155456058
(1S,2R)-2-aminocyclohex-3-ene-1-carboxylic acid
CID 7016465
1,4,4a,7,8,8a-hexahydronaphthalen-1-amine
CID 67951587
2-propylcyclohex-3-en-1-amine
CID 67951489
(1S)-cyclopent-2-en-1-ol
CID 11789128
6-phenylmethoxycyclohex-2-en-1-amine
CID 22329463
6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine
CID 88997048
(5Z)-7,8-diamino-1-cyclooctyl-3,4,7,8-tetrahydro-2H-azocine-2-thiol
CID 166805792
cyclopent-2-en-1-ylmethanamine
CID 13040869
[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine
CID 55289732
(3S)-3-methylcyclopentene
CID 11018803

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-cyclohex-3-ene-1,2-diamine?
The IUPAC name of (1S,2S)-cyclohex-3-ene-1,2-diamine (CID 11194740) is (1S,2S)-cyclohex-3-ene-1,2-diamine.
What is the SMILES notation for (1S,2S)-cyclohex-3-ene-1,2-diamine?
The canonical SMILES for (1S,2S)-cyclohex-3-ene-1,2-diamine is N[C@H]1C=CCC[C@@H]1N.
What is the InChIKey of (1S,2S)-cyclohex-3-ene-1,2-diamine?
The InChIKey is JKOVPYIQCZTDND-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h1,3,5-6H,2,4,7-8H2/t5-,6-/m0/s1.
What are the key properties of (1S,2S)-cyclohex-3-ene-1,2-diamine?
(1S,2S)-cyclohex-3-ene-1,2-diamine has a molecular weight of 112.18 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-cyclohex-3-ene-1,2-diamine is sourced from PubChem (CID 11194740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).