2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine

C14H25NS — CID 62723225

IUPAC2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1ccsc1
InChIInChI=1S/C14H25NS/c1-4-6-8-14(5-2,12-15-3)10-13-7-9-16-11-13/h7,9,11,15H,4-6,8,10,12H2,1-3H3
InChIKeyVEVHIQAWZRXUNM-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.10
Rot. Bonds8

About 2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine

2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine (PubChem CID 62723225) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
PubChem CID62723225
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1ccsc1
InChIInChI=1S/C14H25NS/c1-4-6-8-14(5-2,12-15-3)10-13-7-9-16-11-13/h7,9,11,15H,4-6,8,10,12H2,1-3H3
InChIKeyVEVHIQAWZRXUNM-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(bromomethyl)-2-ethylbutyl]thiophene
CID 66050912
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 55051728
2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine
CID 55106895
3-ethyl-1-thiophen-3-ylheptan-3-amine
CID 65020365
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
CID 63773571
2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63507726
2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 103049706
2-ethyl-N-methyl-2-(2-methylsulfonylethyl)hexan-1-amine
CID 62723627
N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine
CID 102640556
3-heptylthiophene;3-hexylthiophene
CID 159152668
N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 55195481

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine (CID 62723225) is 2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine is CCCCC(CC)(CNC)Cc1ccsc1.
What is the InChIKey of 2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine?
The InChIKey is VEVHIQAWZRXUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-6-8-14(5-2,12-15-3)10-13-7-9-16-11-13/h7,9,11,15H,4-6,8,10,12H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine?
2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine is sourced from PubChem (CID 62723225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).