2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine

C13H23NS — CID 43079336

IUPAC2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CNCc1cccs1
InChIInChI=1S/C13H23NS/c1-3-5-7-12(4-2)10-14-11-13-8-6-9-15-13/h6,8-9,12,14H,3-5,7,10-11H2,1-2H3
InChIKeyFUXRFOHPXDHALM-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.05
Rot. Bonds8

About 2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine

2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine (PubChem CID 43079336) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine
PubChem CID43079336
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CNCc1cccs1
InChIInChI=1S/C13H23NS/c1-3-5-7-12(4-2)10-14-11-13-8-6-9-15-13/h6,8-9,12,14H,3-5,7,10-11H2,1-2H3
InChIKeyFUXRFOHPXDHALM-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine (CID 43079336) is 2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine is CCCCC(CC)CNCc1cccs1.
What is the InChIKey of 2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine?
The InChIKey is FUXRFOHPXDHALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-3-5-7-12(4-2)10-14-11-13-8-6-9-15-13/h6,8-9,12,14H,3-5,7,10-11H2,1-2H3.
What are the key properties of 2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine?
2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(thiophen-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 43079336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).