2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine

C15H27NS — CID 43480735

IUPAC2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1ccc(CC)s1
InChIInChI=1S/C15H27NS/c1-5-8-9-12(6-2)15(16-4)14-11-10-13(7-3)17-14/h10-12,15-16H,5-9H2,1-4H3
InChIKeyKVSKAHOKAGZBJU-UHFFFAOYSA-N
MW253.45 g/mol
LogP4.79
Rot. Bonds8

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

2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine (PubChem CID 43480735) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine
PubChem CID43480735
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1ccc(CC)s1
InChIInChI=1S/C15H27NS/c1-5-8-9-12(6-2)15(16-4)14-11-10-13(7-3)17-14/h10-12,15-16H,5-9H2,1-4H3
InChIKeyKVSKAHOKAGZBJU-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 43488382
2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine
CID 43494115
1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine
CID 43496970
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
1-(5-ethylthiophen-2-yl)dodecan-1-ol
CID 65426188
1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
CID 43494310
1-(5-ethylthiophen-2-yl)undecylhydrazine
CID 105298310
1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43486466
2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine
CID 105045206
1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43482220
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
[1-(5-ethylthiophen-2-yl)-5-methylhexyl]hydrazine
CID 105331221

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine?
The IUPAC name of 2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine (CID 43480735) is 2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine.
What is the SMILES notation for 2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine?
The canonical SMILES for 2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine is CCCCC(CC)C(NC)c1ccc(CC)s1.
What is the InChIKey of 2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine?
The InChIKey is KVSKAHOKAGZBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-5-8-9-12(6-2)15(16-4)14-11-10-13(7-3)17-14/h10-12,15-16H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine?
2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine has a molecular weight of 253.45 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine is sourced from PubChem (CID 43480735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).