N-(diazomethyl)-N,2-dimethylaniline

C9H11N3 — CID 160817803

IUPACN-(diazomethyl)-N,2-dimethylaniline
SMILESCc1ccccc1N(C)C=[N+]=[N-]
InChIInChI=1S/C9H11N3/c1-8-5-3-4-6-9(8)12(2)7-11-10/h3-7H,1-2H3
InChIKeySFDCMKVEGOVCBI-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.69
Rot. Bonds2

About N-(diazomethyl)-N,2-dimethylaniline

N-(diazomethyl)-N,2-dimethylaniline (PubChem CID 160817803) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is N-(diazomethyl)-N,2-dimethylaniline.

Molecular Properties

Compound NameN-(diazomethyl)-N,2-dimethylaniline
PubChem CID160817803
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC NameN-(diazomethyl)-N,2-dimethylaniline
SMILESCc1ccccc1N(C)C=[N+]=[N-]
InChIInChI=1S/C9H11N3/c1-8-5-3-4-6-9(8)12(2)7-11-10/h3-7H,1-2H3
InChIKeySFDCMKVEGOVCBI-UHFFFAOYSA-N
XLogP1.69
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(N,2-dimethylanilino)prop-2-enenitrile
CID 88538395
1,1,2-trimethyl-2-(2-methylphenyl)hydrazine;hydrochloride
CID 117067186
ethane;methylphosphane;N,N,2-trimethylaniline
CID 162765401
2-methyl-N-(2-methylphenyl)-N-phosphanylaniline
CID 158300974
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
1,2-dimethyl-1-(2-methylphenyl)hydrazine;ethane;propane
CID 176660068
2-methyl-N,N-bis[(E)-prop-1-enyl]aniline
CID 142925753
N,2-dimethyl-N-propylaniline
CID 69435269
CID 67680626
CID 67680626
2-methyl-N,N-bis(trimethylsilyl)aniline
CID 22924503
N-(benzylideneamino)-N,2-dimethylaniline
CID 161148878
N-methyl-N-(2-methylphenyl)carbamate
CID 21115000

Frequently Asked Questions

What is the IUPAC name of N-(diazomethyl)-N,2-dimethylaniline?
The IUPAC name of N-(diazomethyl)-N,2-dimethylaniline (CID 160817803) is N-(diazomethyl)-N,2-dimethylaniline.
What is the SMILES notation for N-(diazomethyl)-N,2-dimethylaniline?
The canonical SMILES for N-(diazomethyl)-N,2-dimethylaniline is Cc1ccccc1N(C)C=[N+]=[N-].
What is the InChIKey of N-(diazomethyl)-N,2-dimethylaniline?
The InChIKey is SFDCMKVEGOVCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-8-5-3-4-6-9(8)12(2)7-11-10/h3-7H,1-2H3.
What are the key properties of N-(diazomethyl)-N,2-dimethylaniline?
N-(diazomethyl)-N,2-dimethylaniline has a molecular weight of 161.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diazomethyl)-N,2-dimethylaniline is sourced from PubChem (CID 160817803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).