(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine

C8H16N2 — CID 170074560

IUPAC(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine
SMILESCNC1CC=CC[C@H]1NC
InChIInChI=1S/C8H16N2/c1-9-7-5-3-4-6-8(7)10-2/h3-4,7-10H,5-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyQXXUPUHOJFIHGW-GVHYBUMESA-N
MW140.23 g/mol
LogP0.51
Rot. Bonds2

About (2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine

(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine (PubChem CID 170074560) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine
PubChem CID170074560
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine
SMILESCNC1CC=CC[C@H]1NC
InChIInChI=1S/C8H16N2/c1-9-7-5-3-4-6-8(7)10-2/h3-4,7-10H,5-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyQXXUPUHOJFIHGW-GVHYBUMESA-N
XLogP0.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.51
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 (2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine?
The IUPAC name of (2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine (CID 170074560) is (2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine.
What is the SMILES notation for (2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine?
The canonical SMILES for (2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine is CNC1CC=CC[C@H]1NC.
What is the InChIKey of (2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine?
The InChIKey is QXXUPUHOJFIHGW-GVHYBUMESA-N. The full InChI is InChI=1S/C8H16N2/c1-9-7-5-3-4-6-8(7)10-2/h3-4,7-10H,5-6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine?
(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine is sourced from PubChem (CID 170074560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).