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

C6H12N2 — CID 135035302

IUPAC(1S,4R)-cyclohex-2-ene-1,4-diamine
SMILESN[C@@H]1C=C[C@H](N)CC1
InChIInChI=1S/C6H12N2/c7-5-1-2-6(8)4-3-5/h1-2,5-6H,3-4,7-8H2/t5-,6+
InChIKeyKCQSWEPYVMYSCW-OLQVQODUSA-N
MW112.18 g/mol
LogP-0.01
Rot. Bonds

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

(1S,4R)-cyclohex-2-ene-1,4-diamine (PubChem CID 135035302) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1S,4R)-cyclohex-2-ene-1,4-diamine.

Molecular Properties

Compound Name(1S,4R)-cyclohex-2-ene-1,4-diamine
PubChem CID135035302
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1S,4R)-cyclohex-2-ene-1,4-diamine
SMILESN[C@@H]1C=C[C@H](N)CC1
InChIInChI=1S/C6H12N2/c7-5-1-2-6(8)4-3-5/h1-2,5-6H,3-4,7-8H2/t5-,6+
InChIKeyKCQSWEPYVMYSCW-OLQVQODUSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-cyclohex-2-ene-1,4-diamine?
The IUPAC name of (1S,4R)-cyclohex-2-ene-1,4-diamine (CID 135035302) is (1S,4R)-cyclohex-2-ene-1,4-diamine.
What is the SMILES notation for (1S,4R)-cyclohex-2-ene-1,4-diamine?
The canonical SMILES for (1S,4R)-cyclohex-2-ene-1,4-diamine is N[C@@H]1C=C[C@H](N)CC1.
What is the InChIKey of (1S,4R)-cyclohex-2-ene-1,4-diamine?
The InChIKey is KCQSWEPYVMYSCW-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-1-2-6(8)4-3-5/h1-2,5-6H,3-4,7-8H2/t5-,6+.
What are the key properties of (1S,4R)-cyclohex-2-ene-1,4-diamine?
(1S,4R)-cyclohex-2-ene-1,4-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,4R)-cyclohex-2-ene-1,4-diamine is sourced from PubChem (CID 135035302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).