N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine

C12H19NS — CID 102832629

IUPACN-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1C)C1CCC1
InChIInChI=1S/C12H19NS/c1-3-13-12(10-5-4-6-10)11-7-8-14-9(11)2/h7-8,10,12-13H,3-6H2,1-2H3
InChIKeyJXIJLXSPGYIBBN-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.51
Rot. Bonds4

About N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine

N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 102832629) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
PubChem CID102832629
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1C)C1CCC1
InChIInChI=1S/C12H19NS/c1-3-13-12(10-5-4-6-10)11-7-8-14-9(11)2/h7-8,10,12-13H,3-6H2,1-2H3
InChIKeyJXIJLXSPGYIBBN-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102832026
N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine
CID 106858770
N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
CID 64986462
N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833635
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841954
N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102831917
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[(1,1-dioxothiolan-3-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102833570
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841672
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841988
N-methyl-1-(2-methylcyclopentyl)-1-(2-methylthiophen-3-yl)methanamine
CID 107191644

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine (CID 102832629) is N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1ccsc1C)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is JXIJLXSPGYIBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-13-12(10-5-4-6-10)11-7-8-14-9(11)2/h7-8,10,12-13H,3-6H2,1-2H3.
What are the key properties of N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine?
N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 102832629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).