(1S,2S)-cyclohex-4-ene-1,2-diamine

C6H12N2 — CID 54540988

IUPAC(1S,2S)-cyclohex-4-ene-1,2-diamine
SMILESN[C@H]1CC=CC[C@@H]1N
InChIInChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4,7-8H2/t5-,6-/m0/s1
InChIKeyZDENNVQHCXLZDN-WDSKDSINSA-N
MW112.18 g/mol
LogP-0.01
Rot. Bonds

About (1S,2S)-cyclohex-4-ene-1,2-diamine

(1S,2S)-cyclohex-4-ene-1,2-diamine (PubChem CID 54540988) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1S,2S)-cyclohex-4-ene-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-cyclohex-4-ene-1,2-diamine
PubChem CID54540988
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1S,2S)-cyclohex-4-ene-1,2-diamine
SMILESN[C@H]1CC=CC[C@@H]1N
InChIInChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4,7-8H2/t5-,6-/m0/s1
InChIKeyZDENNVQHCXLZDN-WDSKDSINSA-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'}

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Related Compounds

2-Cyclohexen-1-amine
CID 10931371
(1R,2R)-4-Cyclohexene-1,2-diamine
CID 13838830
Cyclohex-3-en-1-amine hydrochloride
CID 13040868
Cyclohex-2-en-1-amine hydrochloride
CID 13149674
trans-4-Cyclohexene-1,2-diamine dihydrochloride
CID 13838833
(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
(1R)-cyclohex-2-en-1-amine hydrochloride
CID 155819731
Cyclohex-4-ene-1,2-diamine
CID 409119
(E)-hept-5-en-2-amine
CID 11286454

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-cyclohex-4-ene-1,2-diamine?
The IUPAC name of (1S,2S)-cyclohex-4-ene-1,2-diamine (CID 54540988) is (1S,2S)-cyclohex-4-ene-1,2-diamine.
What is the SMILES notation for (1S,2S)-cyclohex-4-ene-1,2-diamine?
The canonical SMILES for (1S,2S)-cyclohex-4-ene-1,2-diamine is N[C@H]1CC=CC[C@@H]1N.
What is the InChIKey of (1S,2S)-cyclohex-4-ene-1,2-diamine?
The InChIKey is ZDENNVQHCXLZDN-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4,7-8H2/t5-,6-/m0/s1.
What are the key properties of (1S,2S)-cyclohex-4-ene-1,2-diamine?
(1S,2S)-cyclohex-4-ene-1,2-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 (1S,2S)-cyclohex-4-ene-1,2-diamine is sourced from PubChem (CID 54540988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).