2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine

C12H19NS — CID 130602082

IUPAC2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)CC2(C)CCC2)s1
InChIInChI=1S/C12H19NS/c1-9-4-5-11(14-9)10(13)8-12(2)6-3-7-12/h4-5,10H,3,6-8,13H2,1-2H3
InChIKeySNEQELFNFRJOEQ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.64
Rot. Bonds3

About 2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine

2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 130602082) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID130602082
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)CC2(C)CCC2)s1
InChIInChI=1S/C12H19NS/c1-9-4-5-11(14-9)10(13)8-12(2)6-3-7-12/h4-5,10H,3,6-8,13H2,1-2H3
InChIKeySNEQELFNFRJOEQ-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
3-amino-3-(5-methylthiophen-2-yl)propanal
CID 142024929
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 115577931
(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171202347
1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243796
1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol
CID 130601456
(4S)-4-amino-4-(5-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171221924
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105003700
1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556111
2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115864382

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine (CID 130602082) is 2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(N)CC2(C)CCC2)s1.
What is the InChIKey of 2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is SNEQELFNFRJOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-4-5-11(14-9)10(13)8-12(2)6-3-7-12/h4-5,10H,3,6-8,13H2,1-2H3.
What are the key properties of 2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine?
2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 130602082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).