N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine

C18H31NS — CID 81030095

IUPACN-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)C(CCc2ccsc2)C1
InChIInChI=1S/C18H31NS/c1-4-15-5-8-18(12-19-14(2)3)17(11-15)7-6-16-9-10-20-13-16/h9-10,13-15,17-19H,4-8,11-12H2,1-3H3
InChIKeyXINFIDDBILRSJC-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.12
Rot. Bonds7

About N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine

N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81030095) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81030095
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)C(CCc2ccsc2)C1
InChIInChI=1S/C18H31NS/c1-4-15-5-8-18(12-19-14(2)3)17(11-15)7-6-16-9-10-20-13-16/h9-10,13-15,17-19H,4-8,11-12H2,1-3H3
InChIKeyXINFIDDBILRSJC-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81024765
N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81033689
N-methyl-1-[2-(2-thiophen-3-ylethyl)cyclopentyl]methanamine
CID 81034577
2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81025880
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine
CID 114477756
3-(2-cyclopropylethyl)thiophene
CID 159324839
1-(3-ethylcyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 65411999
3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64504109
N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine
CID 81029579
N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 81029725
N-ethyl-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64504261
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]propan-2-amine
CID 104813948

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine (CID 81030095) is N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine is CCC1CCC(CNC(C)C)C(CCc2ccsc2)C1.
What is the InChIKey of N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is XINFIDDBILRSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-4-15-5-8-18(12-19-14(2)3)17(11-15)7-6-16-9-10-20-13-16/h9-10,13-15,17-19H,4-8,11-12H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine?
N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 293.52 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81030095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).