2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

C14H24N2S — CID 106012080

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(CNCCC2(CN)CCC2)s1
InChIInChI=1S/C14H24N2S/c1-2-12-4-5-13(17-12)10-16-9-8-14(11-15)6-3-7-14/h4-5,16H,2-3,6-11,15H2,1H3
InChIKeyFNGABBVEKQCZSC-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.92
Rot. Bonds7

About 2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 106012080) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID106012080
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccc(CNCCC2(CN)CCC2)s1
InChIInChI=1S/C14H24N2S/c1-2-12-4-5-13(17-12)10-16-9-8-14(11-15)6-3-7-14/h4-5,16H,2-3,6-11,15H2,1H3
InChIKeyFNGABBVEKQCZSC-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 106012052
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81171143
2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81170467
1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094793
1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 115673684
1-(5-ethylthiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528559
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 115435554
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
2-[1-(aminomethyl)cyclobutyl]-N-[(3-bromothiophen-2-yl)methyl]ethanamine
CID 81171043
2-[[1-(chloromethyl)cyclobutyl]methyl]-5-ethylthiophene
CID 66034874
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (CID 106012080) is 2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is CCc1ccc(CNCCC2(CN)CCC2)s1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is FNGABBVEKQCZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-2-12-4-5-13(17-12)10-16-9-8-14(11-15)6-3-7-14/h4-5,16H,2-3,6-11,15H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 252.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 106012080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).