N,4-dimethylaniline;methane

C9H15N — CID 159702289

IUPACN,4-dimethylaniline;methane
SMILESC.CNc1ccc(C)cc1
InChIInChI=1S/C8H11N.CH4/c1-7-3-5-8(9-2)6-4-7;/h3-6,9H,1-2H3;1H4
InChIKeyMXTVUAXSAAHQRM-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.67
Rot. Bonds1

About N,4-dimethylaniline;methane

N,4-dimethylaniline;methane (PubChem CID 159702289) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,4-dimethylaniline;methane.

Molecular Properties

Compound NameN,4-dimethylaniline;methane
PubChem CID159702289
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,4-dimethylaniline;methane
SMILESC.CNc1ccc(C)cc1
InChIInChI=1S/C8H11N.CH4/c1-7-3-5-8(9-2)6-4-7;/h3-6,9H,1-2H3;1H4
InChIKeyMXTVUAXSAAHQRM-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-dimethylaniline;ethane
CID 90758225
methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
CID 143782226
ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 91075726
N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen
CID 143733495
4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene
CID 143014115
N-methylmethanamine;1,4-xylene
CID 66760370
4-N-methylbenzene-1,4-diamine;4-methylbenzenethiol
CID 142806771
methane;pentakis(1,4-xylene)
CID 160760083
N-methyl-4-(6-methylnaphthalen-2-yl)aniline
CID 116962530
ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene
CID 144508046
N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene
CID 143697278
N,4-dimethylaniline;1-ethenyl-3-methylbenzene
CID 142013646

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylaniline;methane?
The IUPAC name of N,4-dimethylaniline;methane (CID 159702289) is N,4-dimethylaniline;methane.
What is the SMILES notation for N,4-dimethylaniline;methane?
The canonical SMILES for N,4-dimethylaniline;methane is C.CNc1ccc(C)cc1.
What is the InChIKey of N,4-dimethylaniline;methane?
The InChIKey is MXTVUAXSAAHQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.CH4/c1-7-3-5-8(9-2)6-4-7;/h3-6,9H,1-2H3;1H4.
What are the key properties of N,4-dimethylaniline;methane?
N,4-dimethylaniline;methane has a molecular weight of 137.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylaniline;methane is sourced from PubChem (CID 159702289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).