1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine

C17H29NS — CID 105154540

IUPAC1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)C1CCC(C)C(C)C1
InChIInChI=1S/C17H29NS/c1-13-9-10-15(12-14(13)2)17(18-3)8-4-6-16-7-5-11-19-16/h5,7,11,13-15,17-18H,4,6,8-10,12H2,1-3H3
InChIKeyZEEQAFYBPMFKFK-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.73
Rot. Bonds6

About 1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine

1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105154540) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105154540
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)C1CCC(C)C(C)C1
InChIInChI=1S/C17H29NS/c1-13-9-10-15(12-14(13)2)17(18-3)8-4-6-16-7-5-11-19-16/h5,7,11,13-15,17-18H,4,6,8-10,12H2,1-3H3
InChIKeyZEEQAFYBPMFKFK-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 55236906
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170350
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860737
N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine
CID 105189048
N-methyl-1-(2-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 107188935
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 65404001
1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 114216221
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
2-(5-chloro-5-cyclopropylpentyl)thiophene
CID 64507542
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696
N-(1-cyclopentylethyl)-3-thiophen-2-ylpropan-1-amine
CID 115897402

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 105154540) is 1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is ZEEQAFYBPMFKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-13-9-10-15(12-14(13)2)17(18-3)8-4-6-16-7-5-11-19-16/h5,7,11,13-15,17-18H,4,6,8-10,12H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105154540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).