N,N-dibutyl-2,6-dimethylaniline

C16H27N — CID 100917562

IUPACN,N-dibutyl-2,6-dimethylaniline
SMILESCCCCN(CCCC)c1c(C)cccc1C
InChIInChI=1S/C16H27N/c1-5-7-12-17(13-8-6-2)16-14(3)10-9-11-15(16)4/h9-11H,5-8,12-13H2,1-4H3
InChIKeyTZLZOPCIJDTZGU-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.71
Rot. Bonds7

About N,N-dibutyl-2,6-dimethylaniline

N,N-dibutyl-2,6-dimethylaniline (PubChem CID 100917562) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,N-dibutyl-2,6-dimethylaniline.

Molecular Properties

Compound NameN,N-dibutyl-2,6-dimethylaniline
PubChem CID100917562
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,N-dibutyl-2,6-dimethylaniline
SMILESCCCCN(CCCC)c1c(C)cccc1C
InChIInChI=1S/C16H27N/c1-5-7-12-17(13-8-6-2)16-14(3)10-9-11-15(16)4/h9-11H,5-8,12-13H2,1-4H3
InChIKeyTZLZOPCIJDTZGU-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(N-butyl-2,6-dimethylanilino)acetic acid
CID 70523959
3-(N-heptyl-2,6-dimethylanilino)propanoic acid
CID 82319047
2-[butyl(ethyl)amino]-3-methylbenzonitrile
CID 107106343
N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine
CID 170189263
3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine
CID 115549884
3-(N-heptyl-2,6-dimethylanilino)-2-methylpropanoic acid
CID 82319077
N,N-dibutyl-3-methylaniline
CID 15332677
hexane;1,2,3-trimethylbenzene
CID 159405289
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
3-[N-[3-(dimethylamino)propyl]-2-ethyl-6-methylanilino]propanoic acid
CID 82319983
2,3-bis(dipentylamino)phenol
CID 67225665
4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine
CID 67741411

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2,6-dimethylaniline?
The IUPAC name of N,N-dibutyl-2,6-dimethylaniline (CID 100917562) is N,N-dibutyl-2,6-dimethylaniline.
What is the SMILES notation for N,N-dibutyl-2,6-dimethylaniline?
The canonical SMILES for N,N-dibutyl-2,6-dimethylaniline is CCCCN(CCCC)c1c(C)cccc1C.
What is the InChIKey of N,N-dibutyl-2,6-dimethylaniline?
The InChIKey is TZLZOPCIJDTZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-12-17(13-8-6-2)16-14(3)10-9-11-15(16)4/h9-11H,5-8,12-13H2,1-4H3.
What are the key properties of N,N-dibutyl-2,6-dimethylaniline?
N,N-dibutyl-2,6-dimethylaniline has a molecular weight of 233.40 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2,6-dimethylaniline is sourced from PubChem (CID 100917562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).