N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine

C13H22N2S — CID 115245948

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1CCNCC1(CN)CCC1
InChIInChI=1S/C13H22N2S/c1-11-4-8-16-12(11)3-7-15-10-13(9-14)5-2-6-13/h4,8,15H,2-3,5-7,9-10,14H2,1H3
InChIKeyGRYAYLHPQZWZEC-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.32
Rot. Bonds6

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 115245948) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID115245948
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1CCNCC1(CN)CCC1
InChIInChI=1S/C13H22N2S/c1-11-4-8-16-12(11)3-7-15-10-13(9-14)5-2-6-13/h4,8,15H,2-3,5-7,9-10,14H2,1H3
InChIKeyGRYAYLHPQZWZEC-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.32
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)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115445024
N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine
CID 65303941
1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 115121696
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115453861
N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
CID 65304934
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115245897
2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115258076
3-[2-(3-methylthiophen-2-yl)ethylamino]propane-1-thiol
CID 115225201

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine (CID 115245948) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1CCNCC1(CN)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is GRYAYLHPQZWZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-4-8-16-12(11)3-7-15-10-13(9-14)5-2-6-13/h4,8,15H,2-3,5-7,9-10,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115245948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).