N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine

C17H29NOS — CID 116766642

IUPACN-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)C1(OC)CCC(C)CC1
InChIInChI=1S/C17H29NOS/c1-4-18-16(8-7-15-6-5-13-20-15)17(19-3)11-9-14(2)10-12-17/h5-6,13-14,16,18H,4,7-12H2,1-3H3
InChIKeySNWGDGICUWTYHH-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.25
Rot. Bonds7

About N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine

N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 116766642) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID116766642
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)C1(OC)CCC(C)CC1
InChIInChI=1S/C17H29NOS/c1-4-18-16(8-7-15-6-5-13-20-15)17(19-3)11-9-14(2)10-12-17/h5-6,13-14,16,18H,4,7-12H2,1-3H3
InChIKeySNWGDGICUWTYHH-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 116763172
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766596
N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766591
2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766631
N-ethyl-4-methoxy-1-(1-methoxy-4-methylcyclohexyl)-4-methylpentan-1-amine
CID 103036122
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
CID 116766659
1-(1-ethoxycyclopentyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 116762402
[1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105277692
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine
CID 116766678
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116766612
[1-(1-methoxy-3-methylcyclohexyl)-2-thiophen-2-ylethyl]hydrazine
CID 105277607

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine (CID 116766642) is N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)C1(OC)CCC(C)CC1.
What is the InChIKey of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is SNWGDGICUWTYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-4-18-16(8-7-15-6-5-13-20-15)17(19-3)11-9-14(2)10-12-17/h5-6,13-14,16,18H,4,7-12H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine?
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 4.25, 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-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 116766642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).