2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine

C15H27NS — CID 63773571

IUPAC2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
SMILESCCCCC(CC)(CCc1cccs1)CNC
InChIInChI=1S/C15H27NS/c1-4-6-10-15(5-2,13-16-3)11-9-14-8-7-12-17-14/h7-8,12,16H,4-6,9-11,13H2,1-3H3
InChIKeyCBRSBQBYXAGYSJ-UHFFFAOYSA-N
MW253.45 g/mol
LogP4.49
Rot. Bonds9

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

2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine (PubChem CID 63773571) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
PubChem CID63773571
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
SMILESCCCCC(CC)(CCc1cccs1)CNC
InChIInChI=1S/C15H27NS/c1-4-6-10-15(5-2,13-16-3)11-9-14-8-7-12-17-14/h7-8,12,16H,4-6,9-11,13H2,1-3H3
InChIKeyCBRSBQBYXAGYSJ-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63773575
2-(3,3-dimethylheptyl)thiophene
CID 57210788
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258016
2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 62725494
2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 63773755
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
CID 55106894
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
ethane;2-pentylthiophene
CID 143883800
2-butylthiophene;methanamine
CID 143080300
2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
CID 62723225
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62725876

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine (CID 63773571) is 2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine is CCCCC(CC)(CCc1cccs1)CNC.
What is the InChIKey of 2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine?
The InChIKey is CBRSBQBYXAGYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-4-6-10-15(5-2,13-16-3)11-9-14-8-7-12-17-14/h7-8,12,16H,4-6,9-11,13H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine?
2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine has a molecular weight of 253.45 g/mol, XLogP of 4.49, 9 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-(2-thiophen-2-ylethyl)hexan-1-amine is sourced from PubChem (CID 63773571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).