4-butan-2-yl-2,6-di(propan-2-yl)aniline

C16H27N — CID 58701369

IUPAC4-butan-2-yl-2,6-di(propan-2-yl)aniline
SMILESCCC(C)c1cc(C(C)C)c(N)c(C(C)C)c1
InChIInChI=1S/C16H27N/c1-7-12(6)13-8-14(10(2)3)16(17)15(9-13)11(4)5/h8-12H,7,17H2,1-6H3
InChIKeyWYRNKUVPDUMOKN-UHFFFAOYSA-N
MW233.40 g/mol
LogP5.03
Rot. Bonds4

About 4-butan-2-yl-2,6-di(propan-2-yl)aniline

4-butan-2-yl-2,6-di(propan-2-yl)aniline (PubChem CID 58701369) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-butan-2-yl-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound Name4-butan-2-yl-2,6-di(propan-2-yl)aniline
PubChem CID58701369
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-butan-2-yl-2,6-di(propan-2-yl)aniline
SMILESCCC(C)c1cc(C(C)C)c(N)c(C(C)C)c1
InChIInChI=1S/C16H27N/c1-7-12(6)13-8-14(10(2)3)16(17)15(9-13)11(4)5/h8-12H,7,17H2,1-6H3
InChIKeyWYRNKUVPDUMOKN-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]propyl]-2,6-di(propan-2-yl)aniline
CID 70421287
5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene
CID 168837309
4-butan-2-yl-2,6-diethylaniline
CID 12905471
2-[4-amino-3,5-di(propan-2-yl)phenyl]propane-1,3-diol
CID 151143886
4-[[4-amino-3,5-di(butan-2-yl)phenyl]methyl]-2,6-di(butan-2-yl)aniline
CID 18538234
5-butan-2-yl-3-methylbenzene-1,2-diamine
CID 163588283
4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline
CID 151636757
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
4-chloro-2,6-di(propan-2-yl)aniline
CID 10889198
1,3-dibromo-5-butan-2-ylbenzene
CID 54340883
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137160061

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2,6-di(propan-2-yl)aniline?
The IUPAC name of 4-butan-2-yl-2,6-di(propan-2-yl)aniline (CID 58701369) is 4-butan-2-yl-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for 4-butan-2-yl-2,6-di(propan-2-yl)aniline?
The canonical SMILES for 4-butan-2-yl-2,6-di(propan-2-yl)aniline is CCC(C)c1cc(C(C)C)c(N)c(C(C)C)c1.
What is the InChIKey of 4-butan-2-yl-2,6-di(propan-2-yl)aniline?
The InChIKey is WYRNKUVPDUMOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-7-12(6)13-8-14(10(2)3)16(17)15(9-13)11(4)5/h8-12H,7,17H2,1-6H3.
What are the key properties of 4-butan-2-yl-2,6-di(propan-2-yl)aniline?
4-butan-2-yl-2,6-di(propan-2-yl)aniline has a molecular weight of 233.40 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 58701369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).