N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine

C17H29NS — CID 63413397

IUPACN-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)s1)C1CCCCC1
InChIInChI=1S/C17H29NS/c1-3-12-18-17(14-8-6-5-7-9-14)13-16-11-10-15(4-2)19-16/h10-11,14,17-18H,3-9,12-13H2,1-2H3
InChIKeyNGUHTTGITVADAJ-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.80
Rot. Bonds7

About N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine

N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 63413397) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID63413397
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)s1)C1CCCCC1
InChIInChI=1S/C17H29NS/c1-3-12-18-17(14-8-6-5-7-9-14)13-16-11-10-15(4-2)19-16/h10-11,14,17-18H,3-9,12-13H2,1-2H3
InChIKeyNGUHTTGITVADAJ-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
N-[1-(4-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 65392917
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842387
1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
CID 115842424
N-[1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 107188294
N-(1-cyclohexyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61066233
N-(1-cyclopentyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61064990
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 112569956
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423043
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
2-(5-ethylthiophen-2-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425118

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (CID 63413397) is N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)s1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is NGUHTTGITVADAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-3-12-18-17(14-8-6-5-7-9-14)13-16-11-10-15(4-2)19-16/h10-11,14,17-18H,3-9,12-13H2,1-2H3.
What are the key properties of N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63413397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).