2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine

C14H24N2S — CID 81171143

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCc1cc(CNCCC2(CN)CCC2)sc1C
InChIInChI=1S/C14H24N2S/c1-11-8-13(17-12(11)2)9-16-7-6-14(10-15)4-3-5-14/h8,16H,3-7,9-10,15H2,1-2H3
InChIKeySIEPFDBOPQTVRB-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.97
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine

2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine (PubChem CID 81171143) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
PubChem CID81171143
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCc1cc(CNCCC2(CN)CCC2)sc1C
InChIInChI=1S/C14H24N2S/c1-11-8-13(17-12(11)2)9-16-7-6-14(10-15)4-3-5-14/h8,16H,3-7,9-10,15H2,1-2H3
InChIKeySIEPFDBOPQTVRB-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.97
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)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 115445033
2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106012080
2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81170467
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine
CID 81105748
1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 65241401
4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]oxan-4-amine
CID 113280989
1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine
CID 65241098
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 65241403
N'-[(4,5-dimethylthiophen-2-yl)methyl]-N-prop-2-enylethane-1,2-diamine
CID 79280270
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine
CID 65243774
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410494
3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxypropanimidamide
CID 77061647

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine (CID 81171143) is 2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine is Cc1cc(CNCCC2(CN)CCC2)sc1C.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is SIEPFDBOPQTVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-8-13(17-12(11)2)9-16-7-6-14(10-15)4-3-5-14/h8,16H,3-7,9-10,15H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 252.43 g/mol, XLogP of 2.97, 6 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-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81171143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).