N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine

C12H19NS — CID 130171661

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine
SMILESCc1cc(CNC2CCC2C)sc1C
InChIInChI=1S/C12H19NS/c1-8-4-5-12(8)13-7-11-6-9(2)10(3)14-11/h6,8,12-13H,4-5,7H2,1-3H3
InChIKeyKIFUOJISHCXEFR-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.25
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine (PubChem CID 130171661) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine
PubChem CID130171661
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine
SMILESCc1cc(CNC2CCC2C)sc1C
InChIInChI=1S/C12H19NS/c1-8-4-5-12(8)13-7-11-6-9(2)10(3)14-11/h6,8,12-13H,4-5,7H2,1-3H3
InChIKeyKIFUOJISHCXEFR-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 65246386
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylcycloheptan-1-amine
CID 102836225
N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine
CID 65246378
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65246388
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545102
N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine
CID 65246088
1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine
CID 65246233
N-[(4,5-dimethylthiophen-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903616
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 65246623
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
2-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]cyclohexan-1-amine
CID 65241356
1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione
CID 65244105

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine (CID 130171661) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine is Cc1cc(CNC2CCC2C)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine?
The InChIKey is KIFUOJISHCXEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-8-4-5-12(8)13-7-11-6-9(2)10(3)14-11/h6,8,12-13H,4-5,7H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine is sourced from PubChem (CID 130171661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).