N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine

C17H21N3 — CID 134985554

IUPACN-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine
SMILESCCCN(Cc1ccccc1)/N=N/c1ccc(C)cc1
InChIInChI=1S/C17H21N3/c1-3-13-20(14-16-7-5-4-6-8-16)19-18-17-11-9-15(2)10-12-17/h4-12H,3,13-14H2,1-2H3/b19-18+
InChIKeyZVBYEMBDUGZAOO-VHEBQXMUSA-N
MW267.38 g/mol
LogP4.91
Rot. Bonds6

About N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine

N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine (PubChem CID 134985554) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine
PubChem CID134985554
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine
SMILESCCCN(Cc1ccccc1)/N=N/c1ccc(C)cc1
InChIInChI=1S/C17H21N3/c1-3-13-20(14-16-7-5-4-6-8-16)19-18-17-11-9-15(2)10-12-17/h4-12H,3,13-14H2,1-2H3/b19-18+
InChIKeyZVBYEMBDUGZAOO-VHEBQXMUSA-N
XLogP4.91
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 101396713
CID 101396713
(E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine
CID 101405110
N,N-dibenzylpropan-1-amine
CID 10840212
N,N-dipropylpropan-1-amine;toluene
CID 142167047
bis(4-methylphenyl)diazene
CID 10389
N-benzyl-N-propylaniline
CID 14671265
N-benzyl-N-hexylnitrous amide
CID 172967726
methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate
CID 10960972
N-benzyl-N-(methoxymethyl)propan-1-amine
CID 90983787
ethane;methyl-(4-methylphenyl)diazene;naphthalene;propane
CID 91223806
N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine
CID 123599091
(4-methylphenyl)methyl-phenyldiazene
CID 13049562

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine?
The IUPAC name of N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine (CID 134985554) is N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine.
What is the SMILES notation for N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine?
The canonical SMILES for N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine is CCCN(Cc1ccccc1)/N=N/c1ccc(C)cc1.
What is the InChIKey of N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine?
The InChIKey is ZVBYEMBDUGZAOO-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-13-20(14-16-7-5-4-6-8-16)19-18-17-11-9-15(2)10-12-17/h4-12H,3,13-14H2,1-2H3/b19-18+.
What are the key properties of N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine?
N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-methylphenyl)diazenyl]propan-1-amine is sourced from PubChem (CID 134985554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).