[1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine

C11H18N2S — CID 116943916

IUPAC[1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1(CN)CCC1
InChIInChI=1S/C11H18N2S/c1-8-3-6-14-9(8)10(13)11(7-12)4-2-5-11/h3,6,10H,2,4-5,7,12-13H2,1H3
InChIKeyRTCQZCLTJSTIBF-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.19
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine

[1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine (PubChem CID 116943916) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine
PubChem CID116943916
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1(CN)CCC1
InChIInChI=1S/C11H18N2S/c1-8-3-6-14-9(8)10(13)11(7-12)4-2-5-11/h3,6,10H,2,4-5,7,12-13H2,1H3
InChIKeyRTCQZCLTJSTIBF-UHFFFAOYSA-N
XLogP2.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol
CID 79137952
1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79988703
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782
[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine
CID 116943405
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
2-(2,2-dimethylpyrrolidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 63216264
2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988031
[1-(aminomethyl)cyclobutyl]-(5-chlorothiophen-2-yl)methanamine
CID 116943814
[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
CID 116943451
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115245948
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
[1-(aminomethyl)cyclobutyl]-(4-propylphenyl)methanamine
CID 116943807

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine (CID 116943916) is [1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1C(N)C1(CN)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine?
The InChIKey is RTCQZCLTJSTIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-3-6-14-9(8)10(13)11(7-12)4-2-5-11/h3,6,10H,2,4-5,7,12-13H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine?
[1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 116943916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).