3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine

C11H17NS — CID 130581294

IUPAC3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine
SMILESCc1sccc1CNC1CC(C)C1
InChIInChI=1S/C11H17NS/c1-8-5-11(6-8)12-7-10-3-4-13-9(10)2/h3-4,8,11-12H,5-7H2,1-2H3
InChIKeyYCIRLRAPHJCWCF-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.94
Rot. Bonds3

About 3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine

3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine (PubChem CID 130581294) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine
PubChem CID130581294
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine
SMILESCc1sccc1CNC1CC(C)C1
InChIInChI=1S/C11H17NS/c1-8-5-11(6-8)12-7-10-3-4-13-9(10)2/h3-4,8,11-12H,5-7H2,1-2H3
InChIKeyYCIRLRAPHJCWCF-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine
CID 131204148
N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671674
N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115711072
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 64733627
2-methyl-N-[(2-methylthiophen-3-yl)methyl]propan-2-amine
CID 102832538
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 104879201
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 65317887
N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732712

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine (CID 130581294) is 3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine is Cc1sccc1CNC1CC(C)C1.
What is the InChIKey of 3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is YCIRLRAPHJCWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8-5-11(6-8)12-7-10-3-4-13-9(10)2/h3-4,8,11-12H,5-7H2,1-2H3.
What are the key properties of 3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 130581294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).