4-butyl-N-(1-thiophen-2-ylpentyl)aniline

C19H27NS — CID 89492358

IUPAC4-butyl-N-(1-thiophen-2-ylpentyl)aniline
SMILESCCCCc1ccc(NC(CCCC)c2cccs2)cc1
InChIInChI=1S/C19H27NS/c1-3-5-8-16-11-13-17(14-12-16)20-18(9-6-4-2)19-10-7-15-21-19/h7,10-15,18,20H,3-6,8-9H2,1-2H3
InChIKeyZZTWOBNZUJXIHP-UHFFFAOYSA-N
MW301.50 g/mol
LogP6.43
Rot. Bonds9

About 4-butyl-N-(1-thiophen-2-ylpentyl)aniline

4-butyl-N-(1-thiophen-2-ylpentyl)aniline (PubChem CID 89492358) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 4-butyl-N-(1-thiophen-2-ylpentyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(1-thiophen-2-ylpentyl)aniline
PubChem CID89492358
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name4-butyl-N-(1-thiophen-2-ylpentyl)aniline
SMILESCCCCc1ccc(NC(CCCC)c2cccs2)cc1
InChIInChI=1S/C19H27NS/c1-3-5-8-16-11-13-17(14-12-16)20-18(9-6-4-2)19-10-7-15-21-19/h7,10-15,18,20H,3-6,8-9H2,1-2H3
InChIKeyZZTWOBNZUJXIHP-UHFFFAOYSA-N
XLogP6.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43769722
4-butyl-N-[1-(2-phenyl-1,3-thiazol-4-yl)pentyl]aniline
CID 58933101
(4-butylphenyl)-thiophen-2-ylmethanamine
CID 4962878
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
N-heptan-4-yl-4-pentylaniline
CID 63421629
4-butyl-N-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]aniline
CID 58933072
2-methyl-4-(1-thiophen-2-ylbutylamino)benzoic acid
CID 81282435
2-heptadecan-5-ylthiophene
CID 19734009
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(1-thiophen-2-ylpentyl)aniline?
The IUPAC name of 4-butyl-N-(1-thiophen-2-ylpentyl)aniline (CID 89492358) is 4-butyl-N-(1-thiophen-2-ylpentyl)aniline.
What is the SMILES notation for 4-butyl-N-(1-thiophen-2-ylpentyl)aniline?
The canonical SMILES for 4-butyl-N-(1-thiophen-2-ylpentyl)aniline is CCCCc1ccc(NC(CCCC)c2cccs2)cc1.
What is the InChIKey of 4-butyl-N-(1-thiophen-2-ylpentyl)aniline?
The InChIKey is ZZTWOBNZUJXIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-3-5-8-16-11-13-17(14-12-16)20-18(9-6-4-2)19-10-7-15-21-19/h7,10-15,18,20H,3-6,8-9H2,1-2H3.
What are the key properties of 4-butyl-N-(1-thiophen-2-ylpentyl)aniline?
4-butyl-N-(1-thiophen-2-ylpentyl)aniline has a molecular weight of 301.50 g/mol, XLogP of 6.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(1-thiophen-2-ylpentyl)aniline is sourced from PubChem (CID 89492358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).