cyclohex-4-ene-1,2-diamine;hydrochloride

C6H13ClN2 — CID 19043994

IUPACcyclohex-4-ene-1,2-diamine;hydrochloride
SMILESCl.NC1CC=CCC1N
InChIInChI=1S/C6H12N2.ClH/c7-5-3-1-2-4-6(5)8;/h1-2,5-6H,3-4,7-8H2;1H
InChIKeyQWKSYVBVTDXWFU-UHFFFAOYSA-N
MW148.64 g/mol
LogP0.41
Rot. Bonds

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

cyclohex-4-ene-1,2-diamine;hydrochloride (PubChem CID 19043994) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is cyclohex-4-ene-1,2-diamine;hydrochloride.

Molecular Properties

Compound Namecyclohex-4-ene-1,2-diamine;hydrochloride
PubChem CID19043994
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Namecyclohex-4-ene-1,2-diamine;hydrochloride
SMILESCl.NC1CC=CCC1N
InChIInChI=1S/C6H12N2.ClH/c7-5-3-1-2-4-6(5)8;/h1-2,5-6H,3-4,7-8H2;1H
InChIKeyQWKSYVBVTDXWFU-UHFFFAOYSA-N
XLogP0.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 cyclohex-4-ene-1,2-diamine;hydrochloride?
The IUPAC name of cyclohex-4-ene-1,2-diamine;hydrochloride (CID 19043994) is cyclohex-4-ene-1,2-diamine;hydrochloride.
What is the SMILES notation for cyclohex-4-ene-1,2-diamine;hydrochloride?
The canonical SMILES for cyclohex-4-ene-1,2-diamine;hydrochloride is Cl.NC1CC=CCC1N.
What is the InChIKey of cyclohex-4-ene-1,2-diamine;hydrochloride?
The InChIKey is QWKSYVBVTDXWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c7-5-3-1-2-4-6(5)8;/h1-2,5-6H,3-4,7-8H2;1H.
What are the key properties of cyclohex-4-ene-1,2-diamine;hydrochloride?
cyclohex-4-ene-1,2-diamine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-4-ene-1,2-diamine;hydrochloride is sourced from PubChem (CID 19043994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).