N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine

C17H29NOS — CID 116768386

IUPACN-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C17H29NOS/c1-5-18-16(15-10-14(4)20-12-15)17(19-6-2)9-7-8-13(3)11-17/h10,12-13,16,18H,5-9,11H2,1-4H3
InChIKeyLFTIELXVFACVLF-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.69
Rot. Bonds6

About N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine

N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 116768386) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine
PubChem CID116768386
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)c1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C17H29NOS/c1-5-18-16(15-10-14(4)20-12-15)17(19-6-2)9-7-8-13(3)11-17/h10,12-13,16,18H,5-9,11H2,1-4H3
InChIKeyLFTIELXVFACVLF-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116767394
[(1-ethoxycyclopentyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105275848
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116768464
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 116768742
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116770453
N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 106463034
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 116767370
1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 106654657
[cyclohexen-1-yl-(1-ethoxy-3-methylcyclohexyl)methyl]hydrazine
CID 106649638
1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768316

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine (CID 116768386) is N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1csc(C)c1)C1(OCC)CCCC(C)C1.
What is the InChIKey of N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is LFTIELXVFACVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-5-18-16(15-10-14(4)20-12-15)17(19-6-2)9-7-8-13(3)11-17/h10,12-13,16,18H,5-9,11H2,1-4H3.
What are the key properties of N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine?
N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 295.49 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 116768386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).