2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine

C11H17NS — CID 126979225

IUPAC2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
SMILESCC1(C)CCC1NCc1ccsc1
InChIInChI=1S/C11H17NS/c1-11(2)5-3-10(11)12-7-9-4-6-13-8-9/h4,6,8,10,12H,3,5,7H2,1-2H3
InChIKeyMYWKSGKRAKSJNJ-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.03
Rot. Bonds3

About 2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine

2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine (PubChem CID 126979225) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
PubChem CID126979225
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
SMILESCC1(C)CCC1NCc1ccsc1
InChIInChI=1S/C11H17NS/c1-11(2)5-3-10(11)12-7-9-4-6-13-8-9/h4,6,8,10,12H,3,5,7H2,1-2H3
InChIKeyMYWKSGKRAKSJNJ-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol
CID 112634022
3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 103743184
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 63248070
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride
CID 115680477
2,2-dimethyl-N-(2-thiophen-3-ylpropyl)cyclopentan-1-amine
CID 115726200
3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 115656335
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810
1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine
CID 63248071
6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine
CID 83067581
3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 55174100

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine (CID 126979225) is 2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine is CC1(C)CCC1NCc1ccsc1.
What is the InChIKey of 2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is MYWKSGKRAKSJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-11(2)5-3-10(11)12-7-9-4-6-13-8-9/h4,6,8,10,12H,3,5,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 126979225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).