1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine

C16H27NOS — CID 116768130

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
SMILESCCOC1(C(N)CCc2ccsc2)CCCC(C)C1
InChIInChI=1S/C16H27NOS/c1-3-18-16(9-4-5-13(2)11-16)15(17)7-6-14-8-10-19-12-14/h8,10,12-13,15H,3-7,9,11,17H2,1-2H3
InChIKeyNLTWCCBCDLMQIQ-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.99
Rot. Bonds6

About 1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine

1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 116768130) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
PubChem CID116768130
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
SMILESCCOC1(C(N)CCc2ccsc2)CCCC(C)C1
InChIInChI=1S/C16H27NOS/c1-3-18-16(9-4-5-13(2)11-16)15(17)7-6-14-8-10-19-12-14/h8,10,12-13,15H,3-7,9,11,17H2,1-2H3
InChIKeyNLTWCCBCDLMQIQ-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine
CID 79074834
[1-(1-ethoxy-4-methylcyclohexyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105277340
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
N,N,3-trimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cyclohexan-1-amine
CID 79074622
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
[1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105277692
1-(4-ethoxyoxan-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 116754334
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271
1-(2,2-dimethylcyclopentyl)-3-thiophen-3-ylpropan-1-amine
CID 107188789
1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine
CID 116768117

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine (CID 116768130) is 1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine is CCOC1(C(N)CCc2ccsc2)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is NLTWCCBCDLMQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-3-18-16(9-4-5-13(2)11-16)15(17)7-6-14-8-10-19-12-14/h8,10,12-13,15H,3-7,9,11,17H2,1-2H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine?
1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 116768130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).