3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine

C11H17N3 — CID 170602766

IUPAC3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine
SMILES[H]/N=N/CCC(c1ccccc1)N(C)C
InChIInChI=1S/C11H17N3/c1-14(2)11(8-9-13-12)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/b13-12+
InChIKeyQMHYVFPDHMBPEO-OUKQBFOZSA-N
MW191.28 g/mol
LogP2.71
Rot. Bonds5

About 3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine

3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine (PubChem CID 170602766) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine
PubChem CID170602766
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine
SMILES[H]/N=N/CCC(c1ccccc1)N(C)C
InChIInChI=1S/C11H17N3/c1-14(2)11(8-9-13-12)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/b13-12+
InChIKeyQMHYVFPDHMBPEO-OUKQBFOZSA-N
XLogP2.71
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
1,1-diphenylpropan-2-yldiazene
CID 175433981
3-(dimethylamino)-3-(4-phenylphenyl)propan-1-ol
CID 116907655
4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride
CID 24847056
N,N-dimethyl-3-(5-methyl-2H-triazol-4-yl)-1-phenylpropan-1-amine
CID 150009576

Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine (CID 170602766) is 3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine is [H]/N=N/CCC(c1ccccc1)N(C)C.
What is the InChIKey of 3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine?
The InChIKey is QMHYVFPDHMBPEO-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H17N3/c1-14(2)11(8-9-13-12)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/b13-12+.
What are the key properties of 3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine?
3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine has a molecular weight of 191.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-N,N-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 170602766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).