1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine

C12H20N6 — CID 168803450

IUPAC1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine
SMILESC/N=c1c(NC)c(NC)c(=N/C)/c(=N/C)c/1=N\C
InChIInChI=1S/C12H20N6/c1-13-7-8(14-2)10(16-4)12(18-6)11(17-5)9(7)15-3/h13-14H,1-6H3/b15-9-,16-10-,17-11-,18-12-
InChIKeyRKEYQVFRGFWZHQ-KGCZBHAISA-N
MW248.33 g/mol
LogP-1.23
Rot. Bonds2

About 1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine

1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine (PubChem CID 168803450) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine
PubChem CID168803450
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine
SMILESC/N=c1c(NC)c(NC)c(=N/C)/c(=N/C)c/1=N\C
InChIInChI=1S/C12H20N6/c1-13-7-8(14-2)10(16-4)12(18-6)11(17-5)9(7)15-3/h13-14H,1-6H3/b15-9-,16-10-,17-11-,18-12-
InChIKeyRKEYQVFRGFWZHQ-KGCZBHAISA-N
XLogP-1.23
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine (CID 168803450) is 1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine is C/N=c1c(NC)c(NC)c(=N/C)/c(=N/C)c/1=N\C.
What is the InChIKey of 1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine?
The InChIKey is RKEYQVFRGFWZHQ-KGCZBHAISA-N. The full InChI is InChI=1S/C12H20N6/c1-13-7-8(14-2)10(16-4)12(18-6)11(17-5)9(7)15-3/h13-14H,1-6H3/b15-9-,16-10-,17-11-,18-12-.
What are the key properties of 1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine?
1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine has a molecular weight of 248.33 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-3,4,5,6-tetrakis(methylimino)cyclohexene-1,2-diamine is sourced from PubChem (CID 168803450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).