N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine

C16H27NOS — CID 116763172

IUPACN-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)C1(OC)CCCCC1
InChIInChI=1S/C16H27NOS/c1-3-17-15(10-9-14-8-7-13-19-14)16(18-2)11-5-4-6-12-16/h7-8,13,15,17H,3-6,9-12H2,1-2H3
InChIKeyYGUJNGHIIQNLFR-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.01
Rot. Bonds7

About N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine

N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 116763172) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID116763172
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)C1(OC)CCCCC1
InChIInChI=1S/C16H27NOS/c1-3-17-15(10-9-14-8-7-13-19-14)16(18-2)11-5-4-6-12-16/h7-8,13,15,17H,3-6,9-12H2,1-2H3
InChIKeyYGUJNGHIIQNLFR-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 116766642
1-(1-ethoxycyclopentyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 116762402
1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116755920
1-(1-methoxycyclohexyl)-2-thiophen-2-ylethanol
CID 116753410
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 114932716
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol
CID 106830888
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116756164
N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine
CID 116763096
N-ethyl-1-(1-morpholin-4-ylcyclopentyl)-2-thiophen-2-ylethanamine
CID 79060861
1-(1-ethylcyclopentyl)-3-thiophen-2-ylpropan-1-ol
CID 115800364

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine (CID 116763172) is N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)C1(OC)CCCCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is YGUJNGHIIQNLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-3-17-15(10-9-14-8-7-13-19-14)16(18-2)11-5-4-6-12-16/h7-8,13,15,17H,3-6,9-12H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine?
N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 116763172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).