3,4,5-tributyl-N,N-dimethylaniline

C20H35N — CID 170058767

IUPAC3,4,5-tributyl-N,N-dimethylaniline
SMILESCCCCc1cc(N(C)C)cc(CCCC)c1CCCC
InChIInChI=1S/C20H35N/c1-6-9-12-17-15-19(21(4)5)16-18(13-10-7-2)20(17)14-11-8-3/h15-16H,6-14H2,1-5H3
InChIKeyPXRRTVATCAYFBY-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.78
Rot. Bonds10

About 3,4,5-tributyl-N,N-dimethylaniline

3,4,5-tributyl-N,N-dimethylaniline (PubChem CID 170058767) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 3,4,5-tributyl-N,N-dimethylaniline.

Molecular Properties

Compound Name3,4,5-tributyl-N,N-dimethylaniline
PubChem CID170058767
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name3,4,5-tributyl-N,N-dimethylaniline
SMILESCCCCc1cc(N(C)C)cc(CCCC)c1CCCC
InChIInChI=1S/C20H35N/c1-6-9-12-17-15-19(21(4)5)16-18(13-10-7-2)20(17)14-11-8-3/h15-16H,6-14H2,1-5H3
InChIKeyPXRRTVATCAYFBY-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
CID 101311557
2,6-dibutyl-N,N-dimethylpyridin-4-amine
CID 151473916
5-butyl-1,2,3-tridodecylbenzene
CID 91450595
1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
5-ethenyl-1,2,3-tripentylbenzene
CID 123244940
1,2,3,4-tetrabutylbenzene
CID 11220391
3,4,5-tributylpyridine
CID 173010708
1,2,3-tributylbenzene;hydrate
CID 172716323
5-ethyl-1,2,3-tri(tetracosyl)benzene
CID 90881176
2,3-dibutyl-5-methylphenol
CID 151375054
5-butyl-N,N-dimethyl-1H-pyrrol-3-amine
CID 174965958
1,2,3,4,5,6-hexabutylbenzene
CID 12586860

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tributyl-N,N-dimethylaniline?
The IUPAC name of 3,4,5-tributyl-N,N-dimethylaniline (CID 170058767) is 3,4,5-tributyl-N,N-dimethylaniline.
What is the SMILES notation for 3,4,5-tributyl-N,N-dimethylaniline?
The canonical SMILES for 3,4,5-tributyl-N,N-dimethylaniline is CCCCc1cc(N(C)C)cc(CCCC)c1CCCC.
What is the InChIKey of 3,4,5-tributyl-N,N-dimethylaniline?
The InChIKey is PXRRTVATCAYFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-6-9-12-17-15-19(21(4)5)16-18(13-10-7-2)20(17)14-11-8-3/h15-16H,6-14H2,1-5H3.
What are the key properties of 3,4,5-tributyl-N,N-dimethylaniline?
3,4,5-tributyl-N,N-dimethylaniline has a molecular weight of 289.51 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tributyl-N,N-dimethylaniline is sourced from PubChem (CID 170058767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).