2,6-dimethyl-N-(2-methylidenebutyl)aniline

C13H19N — CID 66044989

IUPAC2,6-dimethyl-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1c(C)cccc1C
InChIInChI=1S/C13H19N/c1-5-10(2)9-14-13-11(3)7-6-8-12(13)4/h6-8,14H,2,5,9H2,1,3-4H3
InChIKeyZPIOZIVMMGQIQS-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.68
Rot. Bonds4

About 2,6-dimethyl-N-(2-methylidenebutyl)aniline

2,6-dimethyl-N-(2-methylidenebutyl)aniline (PubChem CID 66044989) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-methylidenebutyl)aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-methylidenebutyl)aniline
PubChem CID66044989
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,6-dimethyl-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1c(C)cccc1C
InChIInChI=1S/C13H19N/c1-5-10(2)9-14-13-11(3)7-6-8-12(13)4/h6-8,14H,2,5,9H2,1,3-4H3
InChIKeyZPIOZIVMMGQIQS-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine
CID 126987109
N,N'-bis(2,6-dimethylphenyl)methanediamine
CID 21130207
propyl 2-(2,6-dimethylanilino)acetate
CID 54052717
2-fluoro-N-(2-methylidenebutyl)aniline
CID 66045449
ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene
CID 142146831
2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine
CID 81361301
N-butyl-2-(2,6-dimethylanilino)acetamide
CID 54818393
N-(2-methylidenebutyl)-3-methylsulfanylaniline
CID 66047338
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
N-(2-methylidenebutyl)pyridin-2-amine
CID 131093254
1-methyl-2-(2-methylidenebutyl)benzene
CID 123760109
1,3-dimethyl-2-(2-methylidenebutoxy)benzene
CID 83056814

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-methylidenebutyl)aniline?
The IUPAC name of 2,6-dimethyl-N-(2-methylidenebutyl)aniline (CID 66044989) is 2,6-dimethyl-N-(2-methylidenebutyl)aniline.
What is the SMILES notation for 2,6-dimethyl-N-(2-methylidenebutyl)aniline?
The canonical SMILES for 2,6-dimethyl-N-(2-methylidenebutyl)aniline is C=C(CC)CNc1c(C)cccc1C.
What is the InChIKey of 2,6-dimethyl-N-(2-methylidenebutyl)aniline?
The InChIKey is ZPIOZIVMMGQIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-5-10(2)9-14-13-11(3)7-6-8-12(13)4/h6-8,14H,2,5,9H2,1,3-4H3.
What are the key properties of 2,6-dimethyl-N-(2-methylidenebutyl)aniline?
2,6-dimethyl-N-(2-methylidenebutyl)aniline has a molecular weight of 189.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-methylidenebutyl)aniline is sourced from PubChem (CID 66044989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).