[3-[(aminodiazenyl)methyl]phenyl]methanamine

C8H12N4 — CID 89366255

IUPAC[3-[(aminodiazenyl)methyl]phenyl]methanamine
SMILESNCc1cccc(C/N=N/N)c1
InChIInChI=1S/C8H12N4/c9-5-7-2-1-3-8(4-7)6-11-12-10/h1-4H,5-6,9H2,(H2,10,11)
InChIKeyUGECFYQMJKFFRW-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.97
Rot. Bonds3

About [3-[(aminodiazenyl)methyl]phenyl]methanamine

[3-[(aminodiazenyl)methyl]phenyl]methanamine (PubChem CID 89366255) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is [3-[(aminodiazenyl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(aminodiazenyl)methyl]phenyl]methanamine
PubChem CID89366255
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name[3-[(aminodiazenyl)methyl]phenyl]methanamine
SMILESNCc1cccc(C/N=N/N)c1
InChIInChI=1S/C8H12N4/c9-5-7-2-1-3-8(4-7)6-11-12-10/h1-4H,5-6,9H2,(H2,10,11)
InChIKeyUGECFYQMJKFFRW-UHFFFAOYSA-N
XLogP0.97
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(azidomethyl)phenyl]methanamine
CID 150198428
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
[3-(bromomethyl)phenyl]methanamine
CID 67540206
[3-(aminomethyl)phenyl]methanamine;thiocyanic acid
CID 175054435
phenylmethanamine
CID 19864074
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
3-(aminomethyl)aniline;dihydrochloride
CID 23346995
[3-(methylsulfanylmethyl)phenyl]methanamine
CID 59652232

Frequently Asked Questions

What is the IUPAC name of [3-[(aminodiazenyl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(aminodiazenyl)methyl]phenyl]methanamine (CID 89366255) is [3-[(aminodiazenyl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(aminodiazenyl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(aminodiazenyl)methyl]phenyl]methanamine is NCc1cccc(C/N=N/N)c1.
What is the InChIKey of [3-[(aminodiazenyl)methyl]phenyl]methanamine?
The InChIKey is UGECFYQMJKFFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c9-5-7-2-1-3-8(4-7)6-11-12-10/h1-4H,5-6,9H2,(H2,10,11).
What are the key properties of [3-[(aminodiazenyl)methyl]phenyl]methanamine?
[3-[(aminodiazenyl)methyl]phenyl]methanamine has a molecular weight of 164.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(aminodiazenyl)methyl]phenyl]methanamine is sourced from PubChem (CID 89366255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).