cyclohex-2-ene-1,4-diamine

C6H12N2 — CID 21290201

IUPACcyclohex-2-ene-1,4-diamine
SMILESNC1C=CC(N)CC1
InChIInChI=1S/C6H12N2/c7-5-1-2-6(8)4-3-5/h1-2,5-6H,3-4,7-8H2
InChIKeyKCQSWEPYVMYSCW-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.01
Rot. Bonds

About cyclohex-2-ene-1,4-diamine

cyclohex-2-ene-1,4-diamine (PubChem CID 21290201) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is cyclohex-2-ene-1,4-diamine.

Molecular Properties

Compound Namecyclohex-2-ene-1,4-diamine
PubChem CID21290201
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Namecyclohex-2-ene-1,4-diamine
SMILESNC1C=CC(N)CC1
InChIInChI=1S/C6H12N2/c7-5-1-2-6(8)4-3-5/h1-2,5-6H,3-4,7-8H2
InChIKeyKCQSWEPYVMYSCW-UHFFFAOYSA-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 cyclohex-2-ene-1,4-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

2-Cyclohexen-1-amine
CID 10931371
(1R,2R)-4-Cyclohexene-1,2-diamine
CID 13838830
(1S)-cyclopent-2-en-1-amine hydrochloride
CID 154832487
Cyclopent-2-en-1-amine
CID 13532837
Cyclohept-2-en-1-amine
CID 11263481
Cyclohex-3-en-1-amine hydrochloride
CID 13040868
Cyclohex-2-en-1-amine hydrochloride
CID 13149674
Cyclopent-2-en-1-amine hydrochloride
CID 13532839
trans-4-Cyclohexene-1,2-diamine dihydrochloride
CID 13838833
(1S,2S)-Cyclohex-4-ene-1,2-diamine
CID 54540988
(1R)-cyclohex-3-en-1-amine hydrochloride
CID 67992028
Cyclohex-3-en-1-amine
CID 13040867

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-ene-1,4-diamine?
The IUPAC name of cyclohex-2-ene-1,4-diamine (CID 21290201) is cyclohex-2-ene-1,4-diamine.
What is the SMILES notation for cyclohex-2-ene-1,4-diamine?
The canonical SMILES for cyclohex-2-ene-1,4-diamine is NC1C=CC(N)CC1.
What is the InChIKey of cyclohex-2-ene-1,4-diamine?
The InChIKey is KCQSWEPYVMYSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-1-2-6(8)4-3-5/h1-2,5-6H,3-4,7-8H2.
What are the key properties of cyclohex-2-ene-1,4-diamine?
cyclohex-2-ene-1,4-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 cyclohex-2-ene-1,4-diamine is sourced from PubChem (CID 21290201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).