3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine

C16H27NS — CID 63503466

IUPAC3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCC1)c1sccc1C
InChIInChI=1S/C16H27NS/c1-3-17-15(16-13(2)11-12-18-16)10-9-14-7-5-4-6-8-14/h11-12,14-15,17H,3-10H2,1-2H3
InChIKeyIWPHPCSMOUZSNM-UHFFFAOYSA-N
MW265.47 g/mol
LogP5.07
Rot. Bonds6

About 3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine

3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine (PubChem CID 63503466) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
PubChem CID63503466
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCC1)c1sccc1C
InChIInChI=1S/C16H27NS/c1-3-17-15(16-13(2)11-12-18-16)10-9-14-7-5-4-6-8-14/h11-12,14-15,17H,3-10H2,1-2H3
InChIKeyIWPHPCSMOUZSNM-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988667
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
CID 105039269
N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448579
[2-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133
3-cyclopentyl-N-ethyl-1-thiophen-3-ylpropan-1-amine
CID 104988399
2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 115907951
N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115863501
N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
CID 105166453
1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 43492319
1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 80535906

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of 3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine (CID 63503466) is 3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine is CCNC(CCC1CCCCC1)c1sccc1C.
What is the InChIKey of 3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine?
The InChIKey is IWPHPCSMOUZSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-3-17-15(16-13(2)11-12-18-16)10-9-14-7-5-4-6-8-14/h11-12,14-15,17H,3-10H2,1-2H3.
What are the key properties of 3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine?
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 63503466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).