1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine

C8H13N5 — CID 142338398

IUPAC1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine
SMILES[H]/N=N/N(C)C(N)c1cccc(N)c1
InChIInChI=1S/C8H13N5/c1-13(12-11)8(10)6-3-2-4-7(9)5-6/h2-5,8,11H,9-10H2,1H3/b12-11+
InChIKeyDVSNEEIEZLXHQY-VAWYXSNFSA-N
MW179.23 g/mol
LogP1.10
Rot. Bonds3

About 1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine

1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine (PubChem CID 142338398) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine.

Molecular Properties

Compound Name1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine
PubChem CID142338398
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine
SMILES[H]/N=N/N(C)C(N)c1cccc(N)c1
InChIInChI=1S/C8H13N5/c1-13(12-11)8(10)6-3-2-4-7(9)5-6/h2-5,8,11H,9-10H2,1H3/b12-11+
InChIKeyDVSNEEIEZLXHQY-VAWYXSNFSA-N
XLogP1.10
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[amino-(3-aminophenyl)methyl]benzene-1,3-diamine
CID 67060857
3-[bis[4-(dimethylamino)phenyl]methyl]aniline;ethane
CID 142155282
(1S,2R)-2-amino-1-(3-aminophenyl)butan-1-ol
CID 131093419
3-[(1S)-1-amino-2-methoxyethyl]aniline
CID 55291978
(2S)-2-amino-2-(3-aminophenyl)ethanol
CID 66513825
3-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273208
3-[1-[(2,6-difluorophenyl)methyl-methylamino]ethyl]aniline
CID 114930497
4-[amino(diazenyl)methyl]aniline;methanamine
CID 143775383
3-(4-methylpentan-2-yl)aniline
CID 15215881
3-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 118363165
3-[1-[methyl(2-methylbutyl)amino]ethyl]aniline
CID 61262568
1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene
CID 43297979

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine?
The IUPAC name of 1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine (CID 142338398) is 1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine.
What is the SMILES notation for 1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine?
The canonical SMILES for 1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine is [H]/N=N/N(C)C(N)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine?
The InChIKey is DVSNEEIEZLXHQY-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H13N5/c1-13(12-11)8(10)6-3-2-4-7(9)5-6/h2-5,8,11H,9-10H2,1H3/b12-11+.
What are the key properties of 1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine?
1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine has a molecular weight of 179.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N'-diazenyl-N'-methylmethanediamine is sourced from PubChem (CID 142338398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).