cyclohex-3-en-1-amine;hydrochloride

C6H12ClN — CID 13040868

IUPACcyclohex-3-en-1-amine;hydrochloride
SMILESCl.NC1CC=CCC1
InChIInChI=1S/C6H11N.ClH/c7-6-4-2-1-3-5-6;/h1-2,6H,3-5,7H2;1H
InChIKeyOTEBFUBTLSFFRL-UHFFFAOYSA-N
MW133.62 g/mol
LogP1.48
Rot. Bonds

About cyclohex-3-en-1-amine;hydrochloride

cyclohex-3-en-1-amine;hydrochloride (PubChem CID 13040868) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is cyclohex-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Namecyclohex-3-en-1-amine;hydrochloride
PubChem CID13040868
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Namecyclohex-3-en-1-amine;hydrochloride
SMILESCl.NC1CC=CCC1
InChIInChI=1S/C6H11N.ClH/c7-6-4-2-1-3-5-6;/h1-2,6H,3-5,7H2;1H
InChIKeyOTEBFUBTLSFFRL-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexen-1-amine
CID 10931371
1-Amino-3-cyclopentene hydrochloride
CID 2756395
(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-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
Cyclopent-3-en-1-amine
CID 2756396

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-amine;hydrochloride?
The IUPAC name of cyclohex-3-en-1-amine;hydrochloride (CID 13040868) is cyclohex-3-en-1-amine;hydrochloride.
What is the SMILES notation for cyclohex-3-en-1-amine;hydrochloride?
The canonical SMILES for cyclohex-3-en-1-amine;hydrochloride is Cl.NC1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-amine;hydrochloride?
The InChIKey is OTEBFUBTLSFFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.ClH/c7-6-4-2-1-3-5-6;/h1-2,6H,3-5,7H2;1H.
What are the key properties of cyclohex-3-en-1-amine;hydrochloride?
cyclohex-3-en-1-amine;hydrochloride has a molecular weight of 133.62 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-amine;hydrochloride is sourced from PubChem (CID 13040868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).