N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine

C14H25NS — CID 60996677

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine
SMILESCCCC(CCc1ccc(CC)s1)NCC
InChIInChI=1S/C14H25NS/c1-4-7-12(15-6-3)8-9-14-11-10-13(5-2)16-14/h10-12,15H,4-9H2,1-3H3
InChIKeyAVCYDALMYOUMIO-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.02
Rot. Bonds8

About N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine

N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine (PubChem CID 60996677) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine
PubChem CID60996677
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine
SMILESCCCC(CCc1ccc(CC)s1)NCC
InChIInChI=1S/C14H25NS/c1-4-7-12(15-6-3)8-9-14-11-10-13(5-2)16-14/h10-12,15H,4-9H2,1-3H3
InChIKeyAVCYDALMYOUMIO-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine (CID 60996677) is N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine is CCCC(CCc1ccc(CC)s1)NCC.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine?
The InChIKey is AVCYDALMYOUMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-7-12(15-6-3)8-9-14-11-10-13(5-2)16-14/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine?
N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine has a molecular weight of 239.43 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine is sourced from PubChem (CID 60996677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).