4-[amino(diazenyl)methyl]aniline;methanamine

C8H15N5 — CID 143775383

IUPAC4-[amino(diazenyl)methyl]aniline;methanamine
SMILESCN.[H]/N=N/C(N)c1ccc(N)cc1
InChIInChI=1S/C7H10N4.CH5N/c8-6-3-1-5(2-4-6)7(9)11-10;1-2/h1-4,7,10H,8-9H2;2H2,1H3/b11-10+;
InChIKeyOJCZCCZNJDVIDC-ASTDGNLGSA-N
MW181.24 g/mol
LogP0.83
Rot. Bonds2

About 4-[amino(diazenyl)methyl]aniline;methanamine

4-[amino(diazenyl)methyl]aniline;methanamine (PubChem CID 143775383) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[amino(diazenyl)methyl]aniline;methanamine.

Molecular Properties

Compound Name4-[amino(diazenyl)methyl]aniline;methanamine
PubChem CID143775383
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name4-[amino(diazenyl)methyl]aniline;methanamine
SMILESCN.[H]/N=N/C(N)c1ccc(N)cc1
InChIInChI=1S/C7H10N4.CH5N/c8-6-3-1-5(2-4-6)7(9)11-10;1-2/h1-4,7,10H,8-9H2;2H2,1H3/b11-10+;
InChIKeyOJCZCCZNJDVIDC-ASTDGNLGSA-N
XLogP0.83
TPSA114.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[amino(diazenyl)methyl]aniline;methanamine 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

4-(1-fluoro-2-methylpropyl)aniline
CID 83855607
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463
4-(1-amino-2-methylpropyl)aniline
CID 55283645
4-(2-iminopentan-3-yl)aniline
CID 174558407
4-(difluoromethyl)aniline;ethane
CID 178149856
1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine
CID 142338398
4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]aniline
CID 134395559
benzene-1,4-diamine;ethane;methane
CID 159498580
4-(1-amino-3,3-dimethylbutyl)aniline
CID 130042000
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
4-[1-(dimethylamino)propan-2-yl]aniline
CID 115015271

Frequently Asked Questions

What is the IUPAC name of 4-[amino(diazenyl)methyl]aniline;methanamine?
The IUPAC name of 4-[amino(diazenyl)methyl]aniline;methanamine (CID 143775383) is 4-[amino(diazenyl)methyl]aniline;methanamine.
What is the SMILES notation for 4-[amino(diazenyl)methyl]aniline;methanamine?
The canonical SMILES for 4-[amino(diazenyl)methyl]aniline;methanamine is CN.[H]/N=N/C(N)c1ccc(N)cc1.
What is the InChIKey of 4-[amino(diazenyl)methyl]aniline;methanamine?
The InChIKey is OJCZCCZNJDVIDC-ASTDGNLGSA-N. The full InChI is InChI=1S/C7H10N4.CH5N/c8-6-3-1-5(2-4-6)7(9)11-10;1-2/h1-4,7,10H,8-9H2;2H2,1H3/b11-10+;.
What are the key properties of 4-[amino(diazenyl)methyl]aniline;methanamine?
4-[amino(diazenyl)methyl]aniline;methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(diazenyl)methyl]aniline;methanamine is sourced from PubChem (CID 143775383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).