4-butyl-N-(2-methylpentyl)aniline

C16H27N — CID 43108404

IUPAC4-butyl-N-(2-methylpentyl)aniline
SMILESCCCCc1ccc(NCC(C)CCC)cc1
InChIInChI=1S/C16H27N/c1-4-6-8-15-9-11-16(12-10-15)17-13-14(3)7-5-2/h9-12,14,17H,4-8,13H2,1-3H3
InChIKeyPQTJBKFMPBWCQB-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.88
Rot. Bonds8

About 4-butyl-N-(2-methylpentyl)aniline

4-butyl-N-(2-methylpentyl)aniline (PubChem CID 43108404) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-butyl-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(2-methylpentyl)aniline
PubChem CID43108404
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-butyl-N-(2-methylpentyl)aniline
SMILESCCCCc1ccc(NCC(C)CCC)cc1
InChIInChI=1S/C16H27N/c1-4-6-8-15-9-11-16(12-10-15)17-13-14(3)7-5-2/h9-12,14,17H,4-8,13H2,1-3H3
InChIKeyPQTJBKFMPBWCQB-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylpentyl)-4-propan-2-ylaniline
CID 43103738
(2S)-3-(4-butylanilino)propane-1,2-diol
CID 61149579
4-(2-chloroethyl)-N-(2-methylbutyl)aniline
CID 65024050
2-[4-(2-methylbutylamino)phenyl]ethanol
CID 61238762
1-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine
CID 102434501
4-bromo-N-(2-methyloctyl)aniline
CID 135385362
1-chloro-3-(4-heptylanilino)propan-2-ol
CID 168640950
4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline
CID 43673018
4-(2-methylpentylamino)benzamide
CID 43201058
N-heptan-4-yl-4-pentylaniline
CID 63421629
1-(4-propylanilino)propan-2-ol
CID 60884974
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-methylpentyl)aniline?
The IUPAC name of 4-butyl-N-(2-methylpentyl)aniline (CID 43108404) is 4-butyl-N-(2-methylpentyl)aniline.
What is the SMILES notation for 4-butyl-N-(2-methylpentyl)aniline?
The canonical SMILES for 4-butyl-N-(2-methylpentyl)aniline is CCCCc1ccc(NCC(C)CCC)cc1.
What is the InChIKey of 4-butyl-N-(2-methylpentyl)aniline?
The InChIKey is PQTJBKFMPBWCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-6-8-15-9-11-16(12-10-15)17-13-14(3)7-5-2/h9-12,14,17H,4-8,13H2,1-3H3.
What are the key properties of 4-butyl-N-(2-methylpentyl)aniline?
4-butyl-N-(2-methylpentyl)aniline has a molecular weight of 233.40 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-methylpentyl)aniline is sourced from PubChem (CID 43108404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).