N,N-dimethyl-2-(nitrosomethyl)aniline

C9H12N2O — CID 91088009

IUPACN,N-dimethyl-2-(nitrosomethyl)aniline
SMILESCN(C)c1ccccc1CN=O
InChIInChI=1S/C9H12N2O/c1-11(2)9-6-4-3-5-8(9)7-10-12/h3-6H,7H2,1-2H3
InChIKeyLQUPPOFGWWIHFA-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.02
Rot. Bonds3

About N,N-dimethyl-2-(nitrosomethyl)aniline

N,N-dimethyl-2-(nitrosomethyl)aniline (PubChem CID 91088009) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N,N-dimethyl-2-(nitrosomethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-(nitrosomethyl)aniline
PubChem CID91088009
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN,N-dimethyl-2-(nitrosomethyl)aniline
SMILESCN(C)c1ccccc1CN=O
InChIInChI=1S/C9H12N2O/c1-11(2)9-6-4-3-5-8(9)7-10-12/h3-6H,7H2,1-2H3
InChIKeyLQUPPOFGWWIHFA-UHFFFAOYSA-N
XLogP2.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diazenylmethyl)-N,N-dimethylaniline
CID 57112857
2-(cyclopropylmethyl)-N,N-dimethylaniline
CID 90792914
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CID 82597179
[2-(dimethylamino)phenyl]methyl N'-methylcarbamimidothioate
CID 16641194
2-heptyl-N,N-dimethylaniline
CID 69464807
2-(diethylindiganylmethyl)-N,N-dimethylaniline
CID 88506247
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline
CID 174458688
N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide
CID 110470326
N,N-dimethyl-2-octadecylaniline;hydrobromide
CID 175213757
N,N-dimethyl-2-nonadecylaniline;hydrochloride
CID 175204059
2-heptadecyl-N,N-dimethylaniline;hydrochloride
CID 175215390
1-methyl-4-[2-(nitrosomethyl)phenyl]benzene
CID 54442957

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(nitrosomethyl)aniline?
The IUPAC name of N,N-dimethyl-2-(nitrosomethyl)aniline (CID 91088009) is N,N-dimethyl-2-(nitrosomethyl)aniline.
What is the SMILES notation for N,N-dimethyl-2-(nitrosomethyl)aniline?
The canonical SMILES for N,N-dimethyl-2-(nitrosomethyl)aniline is CN(C)c1ccccc1CN=O.
What is the InChIKey of N,N-dimethyl-2-(nitrosomethyl)aniline?
The InChIKey is LQUPPOFGWWIHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11(2)9-6-4-3-5-8(9)7-10-12/h3-6H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(nitrosomethyl)aniline?
N,N-dimethyl-2-(nitrosomethyl)aniline has a molecular weight of 164.21 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(nitrosomethyl)aniline is sourced from PubChem (CID 91088009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).