(1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride

C6H13ClN2 — CID 163198404

IUPAC(1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride
SMILESCl.N[C@@H]1CC=CC[C@H]1N
InChIInChI=1S/C6H12N2.ClH/c7-5-3-1-2-4-6(5)8;/h1-2,5-6H,3-4,7-8H2;1H/t5-,6-;/m1./s1
InChIKeyQWKSYVBVTDXWFU-KGZKBUQUSA-N
MW148.64 g/mol
LogP0.41
Rot. Bonds

About (1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride

(1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride (PubChem CID 163198404) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is (1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride
PubChem CID163198404
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name(1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride
SMILESCl.N[C@@H]1CC=CC[C@H]1N
InChIInChI=1S/C6H12N2.ClH/c7-5-3-1-2-4-6(5)8;/h1-2,5-6H,3-4,7-8H2;1H/t5-,6-;/m1./s1
InChIKeyQWKSYVBVTDXWFU-KGZKBUQUSA-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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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
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
4-Cyclohepten-1-amine
CID 538140
Cyclohept-4-en-1-amine hydrochloride
CID 23321004

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride?
The IUPAC name of (1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride (CID 163198404) is (1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride?
The canonical SMILES for (1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride is Cl.N[C@@H]1CC=CC[C@H]1N.
What is the InChIKey of (1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride?
The InChIKey is QWKSYVBVTDXWFU-KGZKBUQUSA-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/t5-,6-;/m1./s1.
What are the key properties of (1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride?
(1R,2R)-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 (1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride is sourced from PubChem (CID 163198404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).