2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine

C12H19NOS — CID 115702786

IUPAC2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
SMILESCOc1ccc(CNCCC2CCC2)s1
InChIInChI=1S/C12H19NOS/c1-14-12-6-5-11(15-12)9-13-8-7-10-3-2-4-10/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyJWCYJFQJHJBWDQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.04
Rot. Bonds6

About 2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine

2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 115702786) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID115702786
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
SMILESCOc1ccc(CNCCC2CCC2)s1
InChIInChI=1S/C12H19NOS/c1-14-12-6-5-11(15-12)9-13-8-7-10-3-2-4-10/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyJWCYJFQJHJBWDQ-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(2-cyclobutylethylamino)methyl]thiophen-2-yl]acetic acid
CID 113478646
N-[(5-methoxythiophen-2-yl)methyl]hexan-1-amine
CID 115702222
N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 115702501
N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115702493
2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol
CID 103992523
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268
3-[2-[(5-methoxythiophen-2-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 115702440
2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732773
5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115690277
1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 115702799
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115741995
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine (CID 115702786) is 2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine is COc1ccc(CNCCC2CCC2)s1.
What is the InChIKey of 2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is JWCYJFQJHJBWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-14-12-6-5-11(15-12)9-13-8-7-10-3-2-4-10/h5-6,10,13H,2-4,7-9H2,1H3.
What are the key properties of 2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine?
2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 115702786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).