1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

C18H31NS — CID 65392242

IUPAC1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)C1CCC(C)(C)CC1
InChIInChI=1S/C18H31NS/c1-4-12-19-17(6-5-15-9-13-20-14-15)16-7-10-18(2,3)11-8-16/h9,13-14,16-17,19H,4-8,10-12H2,1-3H3
InChIKeyWHUPKWOWIWQMJU-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.27
Rot. Bonds7

About 1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 65392242) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID65392242
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)C1CCC(C)(C)CC1
InChIInChI=1S/C18H31NS/c1-4-12-19-17(6-5-15-9-13-20-14-15)16-7-10-18(2,3)11-8-16/h9,13-14,16-17,19H,4-8,10-12H2,1-3H3
InChIKeyWHUPKWOWIWQMJU-UHFFFAOYSA-N
XLogP5.27
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 ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
1-(2,2-dimethylcyclopentyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107188788
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
1-(1,1-dioxothian-2-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115857152
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105147842
1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine
CID 65390648
1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115856935
1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115856802
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 65391253
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 115998337

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 65392242) is 1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNC(CCc1ccsc1)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is WHUPKWOWIWQMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-4-12-19-17(6-5-15-9-13-20-14-15)16-7-10-18(2,3)11-8-16/h9,13-14,16-17,19H,4-8,10-12H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 65392242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).