1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine

C13H21NS — CID 103168696

IUPAC1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
SMILESCNC(CCc1cccs1)CC1CCC1
InChIInChI=1S/C13H21NS/c1-14-12(10-11-4-2-5-11)7-8-13-6-3-9-15-13/h3,6,9,11-12,14H,2,4-5,7-8,10H2,1H3
InChIKeyNUCDYQNMJYNITR-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.46
Rot. Bonds6

About 1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine

1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 103168696) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
PubChem CID103168696
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
SMILESCNC(CCc1cccs1)CC1CCC1
InChIInChI=1S/C13H21NS/c1-14-12(10-11-4-2-5-11)7-8-13-6-3-9-15-13/h3,6,9,11-12,14H,2,4-5,7-8,10H2,1H3
InChIKeyNUCDYQNMJYNITR-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
CID 103986936
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
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-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65131658
N-methyl-1-(4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 55236906
N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine
CID 105150190
N-methyl-1-thiophen-2-yldodecan-3-amine
CID 115860959
1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 65414532
[1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-yl]hydrazine
CID 105198543

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine (CID 103168696) is 1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine is CNC(CCc1cccs1)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is NUCDYQNMJYNITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-14-12(10-11-4-2-5-11)7-8-13-6-3-9-15-13/h3,6,9,11-12,14H,2,4-5,7-8,10H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine?
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 223.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 103168696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).