N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline

C24H33N5O — CID 87150282

IUPACN,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline
SMILESCN(C)c1ccc(N)cc1.CN(C)c1ccc(N=O)cc1.CN(C)c1ccccc1
InChIInChI=1S/C8H10N2O.C8H12N2.C8H11N/c1-10(2)8-5-3-7(9-11)4-6-8;1-10(2)8-5-3-7(9)4-6-8;1-9(2)8-6-4-3-5-7-8/h3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3
InChIKeyRGNTYXGMXJOYQI-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.24
Rot. Bonds4

About N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline

N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline (PubChem CID 87150282) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline.

Molecular Properties

Compound NameN,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline
PubChem CID87150282
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC NameN,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline
SMILESCN(C)c1ccc(N)cc1.CN(C)c1ccc(N=O)cc1.CN(C)c1ccccc1
InChIInChI=1S/C8H10N2O.C8H12N2.C8H11N/c1-10(2)8-5-3-7(9-11)4-6-8;1-10(2)8-5-3-7(9)4-6-8;1-9(2)8-6-4-3-5-7-8/h3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3
InChIKeyRGNTYXGMXJOYQI-UHFFFAOYSA-N
XLogP5.24
TPSA65.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-nitrosoaniline
CID 8749
4-Nitrosodiphenylamine
CID 9074
4-Nitrotriphenylamine
CID 350141
N1-(4-Aminophenyl)-N1-phenyl-1,4-benzenediamine
CID 199391
N-Methyl-4-nitrosobenzenamine
CID 25417
N,N-Diphenyl-p-phenylenediamine
CID 75371
4-((4-aminophenyl)azo)-N,N-dimethylaniline
CID 10872
4,4'-Bis(dimethylamino)diphenylamine
CID 69473
1,4-Benzenediamine, N1,N1-bis(4-aminophenyl)-
CID 80083
4'-Nitro-4-dimethylaminoazobenzene
CID 17225
N,N-Diethyl-4-((4-nitrophenyl)azo)aniline
CID 18186
Benzenamine, 4-nitro-N,N-bis(4-nitrophenyl)-
CID 88538

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline?
The IUPAC name of N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline (CID 87150282) is N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline.
What is the SMILES notation for N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline?
The canonical SMILES for N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline is CN(C)c1ccc(N)cc1.CN(C)c1ccc(N=O)cc1.CN(C)c1ccccc1.
What is the InChIKey of N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline?
The InChIKey is RGNTYXGMXJOYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C8H12N2.C8H11N/c1-10(2)8-5-3-7(9-11)4-6-8;1-10(2)8-5-3-7(9)4-6-8;1-9(2)8-6-4-3-5-7-8/h3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3.
What are the key properties of N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline?
N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline has a molecular weight of 407.56 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline;4-N,4-N-dimethylbenzene-1,4-diamine;N,N-dimethyl-4-nitrosoaniline is sourced from PubChem (CID 87150282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).