4-methylcyclohexane-1,2-diamine;sulfuric acid

C7H18N2O4S — CID 11528700

IUPAC4-methylcyclohexane-1,2-diamine;sulfuric acid
SMILESCC1CCC(N)C(N)C1.O=S(=O)(O)O
InChIInChI=1S/C7H16N2.H2O4S/c1-5-2-3-6(8)7(9)4-5;1-5(2,3)4/h5-7H,2-4,8-9H2,1H3;(H2,1,2,3,4)
InChIKeyBHMDZNDALVDBAR-UHFFFAOYSA-N
MW226.30 g/mol
LogP-0.19
Rot. Bonds

About 4-methylcyclohexane-1,2-diamine;sulfuric acid

4-methylcyclohexane-1,2-diamine;sulfuric acid (PubChem CID 11528700) has the molecular formula C7H18N2O4S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-methylcyclohexane-1,2-diamine;sulfuric acid.

Molecular Properties

Compound Name4-methylcyclohexane-1,2-diamine;sulfuric acid
PubChem CID11528700
Molecular FormulaC7H18N2O4S
Molecular Weight226.30 g/mol
Exact Mass226.10
IUPAC Name4-methylcyclohexane-1,2-diamine;sulfuric acid
SMILESCC1CCC(N)C(N)C1.O=S(=O)(O)O
InChIInChI=1S/C7H16N2.H2O4S/c1-5-2-3-6(8)7(9)4-5;1-5(2,3)4/h5-7H,2-4,8-9H2,1H3;(H2,1,2,3,4)
InChIKeyBHMDZNDALVDBAR-UHFFFAOYSA-N
XLogP-0.19
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-methylcyclohexane-1,2-diamine;sulfuric acid with MolForge

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

Launch Full Analysis

Related Compounds

cis-(1R,2S)-4-methylcyclohexane-1,2-diamine
CID 101451140
(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine
CID 15306003
2,5-dimethylcyclohexan-1-amine;hydrobromide
CID 17138988
(2R)-2-amino-4-methylcyclohexan-1-ol
CID 142197995
2,4-dimethylcyclohexan-1-amine
CID 14675373
2-iodo-4-methylcyclohexan-1-amine
CID 163524307
4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64676428
(3-methylcyclopentyl)sulfamic acid
CID 19748602
2-(aminomethyl)-5-methylcyclohexan-1-amine
CID 62070304
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
(1R)-3-methylcyclopentan-1-amine
CID 58346799

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexane-1,2-diamine;sulfuric acid?
The IUPAC name of 4-methylcyclohexane-1,2-diamine;sulfuric acid (CID 11528700) is 4-methylcyclohexane-1,2-diamine;sulfuric acid.
What is the SMILES notation for 4-methylcyclohexane-1,2-diamine;sulfuric acid?
The canonical SMILES for 4-methylcyclohexane-1,2-diamine;sulfuric acid is CC1CCC(N)C(N)C1.O=S(=O)(O)O.
What is the InChIKey of 4-methylcyclohexane-1,2-diamine;sulfuric acid?
The InChIKey is BHMDZNDALVDBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.H2O4S/c1-5-2-3-6(8)7(9)4-5;1-5(2,3)4/h5-7H,2-4,8-9H2,1H3;(H2,1,2,3,4).
What are the key properties of 4-methylcyclohexane-1,2-diamine;sulfuric acid?
4-methylcyclohexane-1,2-diamine;sulfuric acid has a molecular weight of 226.30 g/mol, XLogP of -0.19, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexane-1,2-diamine;sulfuric acid is sourced from PubChem (CID 11528700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).