2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine

C14H18N2 — CID 175734127

IUPAC2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine
SMILESCN(c1ccccc1N)C1(C)C=CC=CC1
InChIInChI=1S/C14H18N2/c1-14(10-6-3-7-11-14)16(2)13-9-5-4-8-12(13)15/h3-10H,11,15H2,1-2H3
InChIKeyVWRDLJPPCKLYHT-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.98
Rot. Bonds2

About 2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine

2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine (PubChem CID 175734127) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine
PubChem CID175734127
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine
SMILESCN(c1ccccc1N)C1(C)C=CC=CC1
InChIInChI=1S/C14H18N2/c1-14(10-6-3-7-11-14)16(2)13-9-5-4-8-12(13)15/h3-10H,11,15H2,1-2H3
InChIKeyVWRDLJPPCKLYHT-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N,N'-trimethyl-N'-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine
CID 122468443
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662
5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
CID 175128214
2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 43264707
7-N-dibenzothiophen-1-yl-7-N-(1-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine
CID 147887960
N'-[(E)-2-(3-aminophenyl)ethenyl]-N'-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-1-phenylmethanediamine
CID 118675124
2-[methyl(methylamino)amino]aniline
CID 89255912
(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
CID 174888236
2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
CID 61449915
2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine
CID 23069489
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine (CID 175734127) is 2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine is CN(c1ccccc1N)C1(C)C=CC=CC1.
What is the InChIKey of 2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine?
The InChIKey is VWRDLJPPCKLYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(10-6-3-7-11-14)16(2)13-9-5-4-8-12(13)15/h3-10H,11,15H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine?
2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine has a molecular weight of 214.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1-methylcyclohexa-2,4-dien-1-yl)benzene-1,2-diamine is sourced from PubChem (CID 175734127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).