2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine

C12H19NS — CID 131160728

IUPAC2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine
SMILESCc1cc(CNC2CC(C)C2C)cs1
InChIInChI=1S/C12H19NS/c1-8-4-12(10(8)3)13-6-11-5-9(2)14-7-11/h5,7-8,10,12-13H,4,6H2,1-3H3
InChIKeyGWNLMXGUNVESSF-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.19
Rot. Bonds3

About 2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine

2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine (PubChem CID 131160728) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine
PubChem CID131160728
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine
SMILESCc1cc(CNC2CC(C)C2C)cs1
InChIInChI=1S/C12H19NS/c1-8-4-12(10(8)3)13-6-11-5-9(2)14-7-11/h5,7-8,10,12-13H,4,6H2,1-3H3
InChIKeyGWNLMXGUNVESSF-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine
CID 130993198
1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine
CID 127006298
2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 131154099
2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine
CID 130966817
N-[(5-methylthiophen-3-yl)methyl]formamide
CID 127006311
2-methyl-N-[1-(5-methylthiophen-3-yl)ethyl]cyclopropan-1-amine
CID 130991690
2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline
CID 62408815
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 63050226
2-[(5-methylthiophen-3-yl)methylamino]acetonitrile
CID 127006290
N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine
CID 130735161
N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908240
N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine
CID 130558804

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine (CID 131160728) is 2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine is Cc1cc(CNC2CC(C)C2C)cs1.
What is the InChIKey of 2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is GWNLMXGUNVESSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-8-4-12(10(8)3)13-6-11-5-9(2)14-7-11/h5,7-8,10,12-13H,4,6H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine?
2,3-dimethyl-N-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.19, 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-[(5-methylthiophen-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 131160728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).