4-butan-2-yl-N-(2-methylpentan-3-yl)aniline

C16H27N — CID 43780446

IUPAC4-butan-2-yl-N-(2-methylpentan-3-yl)aniline
SMILESCCC(C)c1ccc(NC(CC)C(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-13(5)14-8-10-15(11-9-14)17-16(7-2)12(3)4/h8-13,16-17H,6-7H2,1-5H3
InChIKeyQZKJVDHSJMPCBR-UHFFFAOYSA-N
MW233.40 g/mol
LogP5.05
Rot. Bonds6

About 4-butan-2-yl-N-(2-methylpentan-3-yl)aniline

4-butan-2-yl-N-(2-methylpentan-3-yl)aniline (PubChem CID 43780446) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-butan-2-yl-N-(2-methylpentan-3-yl)aniline.

Molecular Properties

Compound Name4-butan-2-yl-N-(2-methylpentan-3-yl)aniline
PubChem CID43780446
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-butan-2-yl-N-(2-methylpentan-3-yl)aniline
SMILESCCC(C)c1ccc(NC(CC)C(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-13(5)14-8-10-15(11-9-14)17-16(7-2)12(3)4/h8-13,16-17H,6-7H2,1-5H3
InChIKeyQZKJVDHSJMPCBR-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine
CID 115137874
4-butan-2-yl-N-methylaniline
CID 22675641
4-butan-2-yl-N-(dicyclopropylmethyl)aniline
CID 43681135
4-butan-2-yl-N-hexan-2-ylaniline
CID 43780445
N-[1-(2-bromophenyl)ethyl]-4-butan-2-ylaniline
CID 43681132
N-(2-methylpentan-3-yl)-4-nitroaniline
CID 43785816
4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline
CID 103463690
3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline
CID 63463599
4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline
CID 54863929
1-methyl-5-(2-methylpentan-3-ylamino)pyridin-2-one
CID 60932040
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(2-methylpentan-3-yl)aniline?
The IUPAC name of 4-butan-2-yl-N-(2-methylpentan-3-yl)aniline (CID 43780446) is 4-butan-2-yl-N-(2-methylpentan-3-yl)aniline.
What is the SMILES notation for 4-butan-2-yl-N-(2-methylpentan-3-yl)aniline?
The canonical SMILES for 4-butan-2-yl-N-(2-methylpentan-3-yl)aniline is CCC(C)c1ccc(NC(CC)C(C)C)cc1.
What is the InChIKey of 4-butan-2-yl-N-(2-methylpentan-3-yl)aniline?
The InChIKey is QZKJVDHSJMPCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-13(5)14-8-10-15(11-9-14)17-16(7-2)12(3)4/h8-13,16-17H,6-7H2,1-5H3.
What are the key properties of 4-butan-2-yl-N-(2-methylpentan-3-yl)aniline?
4-butan-2-yl-N-(2-methylpentan-3-yl)aniline has a molecular weight of 233.40 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(2-methylpentan-3-yl)aniline is sourced from PubChem (CID 43780446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).