N-heptan-4-yl-2-thiophen-2-ylaniline

C17H23NS — CID 43724523

IUPACN-heptan-4-yl-2-thiophen-2-ylaniline
SMILESCCCC(CCC)Nc1ccccc1-c1cccs1
InChIInChI=1S/C17H23NS/c1-3-8-14(9-4-2)18-16-11-6-5-10-15(16)17-12-7-13-19-17/h5-7,10-14,18H,3-4,8-9H2,1-2H3
InChIKeyRPOPAWLPJOUXMW-UHFFFAOYSA-N
MW273.45 g/mol
LogP5.80
Rot. Bonds7

About N-heptan-4-yl-2-thiophen-2-ylaniline

N-heptan-4-yl-2-thiophen-2-ylaniline (PubChem CID 43724523) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-heptan-4-yl-2-thiophen-2-ylaniline.

Molecular Properties

Compound NameN-heptan-4-yl-2-thiophen-2-ylaniline
PubChem CID43724523
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC NameN-heptan-4-yl-2-thiophen-2-ylaniline
SMILESCCCC(CCC)Nc1ccccc1-c1cccs1
InChIInChI=1S/C17H23NS/c1-3-8-14(9-4-2)18-16-11-6-5-10-15(16)17-12-7-13-19-17/h5-7,10-14,18H,3-4,8-9H2,1-2H3
InChIKeyRPOPAWLPJOUXMW-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.45
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-2-thiophen-2-ylaniline?
The IUPAC name of N-heptan-4-yl-2-thiophen-2-ylaniline (CID 43724523) is N-heptan-4-yl-2-thiophen-2-ylaniline.
What is the SMILES notation for N-heptan-4-yl-2-thiophen-2-ylaniline?
The canonical SMILES for N-heptan-4-yl-2-thiophen-2-ylaniline is CCCC(CCC)Nc1ccccc1-c1cccs1.
What is the InChIKey of N-heptan-4-yl-2-thiophen-2-ylaniline?
The InChIKey is RPOPAWLPJOUXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-3-8-14(9-4-2)18-16-11-6-5-10-15(16)17-12-7-13-19-17/h5-7,10-14,18H,3-4,8-9H2,1-2H3.
What are the key properties of N-heptan-4-yl-2-thiophen-2-ylaniline?
N-heptan-4-yl-2-thiophen-2-ylaniline has a molecular weight of 273.45 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-2-thiophen-2-ylaniline is sourced from PubChem (CID 43724523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).