N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine

C12H20N2S — CID 106012052

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(CNCC2(CN)CC2)s1
InChIInChI=1S/C12H20N2S/c1-2-10-3-4-11(15-10)7-14-9-12(8-13)5-6-12/h3-4,14H,2,5-9,13H2,1H3
InChIKeyULAYTAUEHYNSMG-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.14
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine (PubChem CID 106012052) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
PubChem CID106012052
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(CNCC2(CN)CC2)s1
InChIInChI=1S/C12H20N2S/c1-2-10-3-4-11(15-10)7-14-9-12(8-13)5-6-12/h3-4,14H,2,5-9,13H2,1H3
InChIKeyULAYTAUEHYNSMG-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine with MolForge

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106012080
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 115435554
1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094793
1-(5-ethylthiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528559
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 115673684
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268149
N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 115445033
5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile
CID 103735569
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 115435543
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196618
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine (CID 106012052) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(CNCC2(CN)CC2)s1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is ULAYTAUEHYNSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-10-3-4-11(15-10)7-14-9-12(8-13)5-6-12/h3-4,14H,2,5-9,13H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 106012052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).