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

C11H17NS — CID 131154099

IUPAC2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCC1CC(NCc2cccs2)C1C
InChIInChI=1S/C11H17NS/c1-8-6-11(9(8)2)12-7-10-4-3-5-13-10/h3-5,8-9,11-12H,6-7H2,1-2H3
InChIKeyRTIHSXUOFVYAIY-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.88
Rot. Bonds3

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

2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (PubChem CID 131154099) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
PubChem CID131154099
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
SMILESCC1CC(NCc2cccs2)C1C
InChIInChI=1S/C11H17NS/c1-8-6-11(9(8)2)12-7-10-4-3-5-13-10/h3-5,8-9,11-12H,6-7H2,1-2H3
InChIKeyRTIHSXUOFVYAIY-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
CID 46869807
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65025495
N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223238
N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726965
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine
CID 131160728
2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine
CID 79918908
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
trans-(1R,2R)-1-N-(2-phenylsulfanylethyl)-2-N-(thiophen-2-ylmethyl)cyclohexane-1,2-diamine
CID 118584802
2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 115614557

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine (CID 131154099) is 2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is CC1CC(NCc2cccs2)C1C.
What is the InChIKey of 2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is RTIHSXUOFVYAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8-6-11(9(8)2)12-7-10-4-3-5-13-10/h3-5,8-9,11-12H,6-7H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine?
2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 131154099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).