N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine

C11H20N2OS — CID 107556230

IUPACN-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1ccc(CN)s1
InChIInChI=1S/C11H20N2OS/c1-9(8-14-3)13(2)7-11-5-4-10(6-12)15-11/h4-5,9H,6-8,12H2,1-3H3
InChIKeyAJEMWUFRSAVNDH-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.67
Rot. Bonds6

About N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine

N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine (PubChem CID 107556230) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
PubChem CID107556230
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1ccc(CN)s1
InChIInChI=1S/C11H20N2OS/c1-9(8-14-3)13(2)7-11-5-4-10(6-12)15-11/h4-5,9H,6-8,12H2,1-3H3
InChIKeyAJEMWUFRSAVNDH-UHFFFAOYSA-N
XLogP1.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556231
1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556235
N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 61453087
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 107557246
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 64769908
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62019115
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 55074174
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 107557366
5-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyrazin-2-amine
CID 103055836
N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453398
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257
1-[5-(aminomethyl)thiophen-2-yl]-N,N-dimethylethanamine
CID 105441380

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine (CID 107556230) is N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine is COCC(C)N(C)Cc1ccc(CN)s1.
What is the InChIKey of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
The InChIKey is AJEMWUFRSAVNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(8-14-3)13(2)7-11-5-4-10(6-12)15-11/h4-5,9H,6-8,12H2,1-3H3.
What are the key properties of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine?
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine has a molecular weight of 228.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 107556230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).