N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine

C17H29NS — CID 105151192

IUPACN-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1CCCCC1CC
InChIInChI=1S/C17H29NS/c1-3-10-18-17(12-14-9-11-19-13-14)16-8-6-5-7-15(16)4-2/h9,11,13,15-18H,3-8,10,12H2,1-2H3
InChIKeyVLBJZFMCSPGAQP-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.88
Rot. Bonds7

About N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 105151192) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID105151192
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1CCCCC1CC
InChIInChI=1S/C17H29NS/c1-3-10-18-17(12-14-9-11-19-13-14)16-8-6-5-7-15(16)4-2/h9,11,13,15-18H,3-8,10,12H2,1-2H3
InChIKeyVLBJZFMCSPGAQP-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-ethylcyclohexyl)-2-thiophen-3-ylethanamine
CID 105151151
1-(2-ethylcyclohexyl)-2-thiophen-3-ylethanamine
CID 105151200
N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80626191
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 115998337
N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63863279
N-[1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63863284
N-[1-(2-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63863655
N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137544
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine
CID 112690220
1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115857152

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine (CID 105151192) is N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)C1CCCCC1CC.
What is the InChIKey of N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is VLBJZFMCSPGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-3-10-18-17(12-14-9-11-19-13-14)16-8-6-5-7-15(16)4-2/h9,11,13,15-18H,3-8,10,12H2,1-2H3.
What are the key properties of N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 105151192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).