3-phenyldiazenylpropan-1-amine

C9H13N3 — CID 91315075

IUPAC3-phenyldiazenylpropan-1-amine
SMILESNCCC/N=N/c1ccccc1
InChIInChI=1S/C9H13N3/c10-7-4-8-11-12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2/b12-11+
InChIKeyHSAOHDMAPZZUFZ-VAWYXSNFSA-N
MW163.22 g/mol
LogP2.12
Rot. Bonds4

About 3-phenyldiazenylpropan-1-amine

3-phenyldiazenylpropan-1-amine (PubChem CID 91315075) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-phenyldiazenylpropan-1-amine.

Molecular Properties

Compound Name3-phenyldiazenylpropan-1-amine
PubChem CID91315075
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-phenyldiazenylpropan-1-amine
SMILESNCCC/N=N/c1ccccc1
InChIInChI=1S/C9H13N3/c10-7-4-8-11-12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2/b12-11+
InChIKeyHSAOHDMAPZZUFZ-VAWYXSNFSA-N
XLogP2.12
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
2-phenyldiazenylethanethioamide
CID 87475270
diphenyldiazene;hydrofluoride
CID 174857584
(4-methylphenyl)methyl-phenyldiazene
CID 13049562
bis(diphenyldiazene);uranium;vanadium
CID 158886927
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline
CID 154679406
(2,6-dichlorophenyl)methyl-phenyldiazene
CID 54361254
N,N-dimethyl-4-(phenyldiazenylmethyl)aniline
CID 91244696
benzene;3-phenylpropan-1-amine
CID 174865683
diphenyldiazene;urea
CID 175083568
N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline
CID 87500130
4-(10-bromodecoxy)dodecyl-phenyldiazene
CID 67872732

Frequently Asked Questions

What is the IUPAC name of 3-phenyldiazenylpropan-1-amine?
The IUPAC name of 3-phenyldiazenylpropan-1-amine (CID 91315075) is 3-phenyldiazenylpropan-1-amine.
What is the SMILES notation for 3-phenyldiazenylpropan-1-amine?
The canonical SMILES for 3-phenyldiazenylpropan-1-amine is NCCC/N=N/c1ccccc1.
What is the InChIKey of 3-phenyldiazenylpropan-1-amine?
The InChIKey is HSAOHDMAPZZUFZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H13N3/c10-7-4-8-11-12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2/b12-11+.
What are the key properties of 3-phenyldiazenylpropan-1-amine?
3-phenyldiazenylpropan-1-amine has a molecular weight of 163.22 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyldiazenylpropan-1-amine is sourced from PubChem (CID 91315075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).