(1R)-cyclohex-3-en-1-amine;hydrochloride

C6H12ClN — CID 67992028

IUPAC(1R)-cyclohex-3-en-1-amine;hydrochloride
SMILESCl.N[C@H]1CC=CCC1
InChIInChI=1S/C6H11N.ClH/c7-6-4-2-1-3-5-6;/h1-2,6H,3-5,7H2;1H/t6-;/m0./s1
InChIKeyOTEBFUBTLSFFRL-RGMNGODLSA-N
MW133.62 g/mol
LogP1.48
Rot. Bonds

About (1R)-cyclohex-3-en-1-amine;hydrochloride

(1R)-cyclohex-3-en-1-amine;hydrochloride (PubChem CID 67992028) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is (1R)-cyclohex-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-cyclohex-3-en-1-amine;hydrochloride
PubChem CID67992028
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name(1R)-cyclohex-3-en-1-amine;hydrochloride
SMILESCl.N[C@H]1CC=CCC1
InChIInChI=1S/C6H11N.ClH/c7-6-4-2-1-3-5-6;/h1-2,6H,3-5,7H2;1H/t6-;/m0./s1
InChIKeyOTEBFUBTLSFFRL-RGMNGODLSA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-cyclohex-3-en-1-amine;hydrochloride?
The IUPAC name of (1R)-cyclohex-3-en-1-amine;hydrochloride (CID 67992028) is (1R)-cyclohex-3-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-cyclohex-3-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-cyclohex-3-en-1-amine;hydrochloride is Cl.N[C@H]1CC=CCC1.
What is the InChIKey of (1R)-cyclohex-3-en-1-amine;hydrochloride?
The InChIKey is OTEBFUBTLSFFRL-RGMNGODLSA-N. The full InChI is InChI=1S/C6H11N.ClH/c7-6-4-2-1-3-5-6;/h1-2,6H,3-5,7H2;1H/t6-;/m0./s1.
What are the key properties of (1R)-cyclohex-3-en-1-amine;hydrochloride?
(1R)-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 (1R)-cyclohex-3-en-1-amine;hydrochloride is sourced from PubChem (CID 67992028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).