N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine

C17H29NOS — CID 116767370

IUPACN-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)C1(OCC)CCC(C)CC1
InChIInChI=1S/C17H29NOS/c1-5-18-16(15-8-7-14(4)20-15)17(19-6-2)11-9-13(3)10-12-17/h7-8,13,16,18H,5-6,9-12H2,1-4H3
InChIKeyHPELKKLQSKEMRV-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.69
Rot. Bonds6

About N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine

N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 116767370) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID116767370
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)C1(OCC)CCC(C)CC1
InChIInChI=1S/C17H29NOS/c1-5-18-16(15-8-7-14(4)20-15)17(19-6-2)11-9-13(3)10-12-17/h7-8,13,16,18H,5-6,9-12H2,1-4H3
InChIKeyHPELKKLQSKEMRV-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

Analyze N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(1-ethoxy-4-methylcyclohexyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833988
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 116768821
N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 102648132
N-[(5-chlorothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116771030
N-[(1-ethoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 116767269
[(1-ethoxy-4-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105277256
N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114689332
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 116767285
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 116767194
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116767394
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116767273
N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 55128692

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine (CID 116767370) is N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(C)s1)C1(OCC)CCC(C)CC1.
What is the InChIKey of N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is HPELKKLQSKEMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-5-18-16(15-8-7-14(4)20-15)17(19-6-2)11-9-13(3)10-12-17/h7-8,13,16,18H,5-6,9-12H2,1-4H3.
What are the key properties of N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-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-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 116767370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).