N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine

C14H20N2S2 — CID 80727302

IUPACN-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(CN(C)Cc2ccsc2)c(C)s1
InChIInChI=1S/C14H20N2S2/c1-11-13(6-14(18-11)7-15-2)9-16(3)8-12-4-5-17-10-12/h4-6,10,15H,7-9H2,1-3H3
InChIKeyFVFICYODBLDOPL-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.47
Rot. Bonds6

About N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine

N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine (PubChem CID 80727302) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
PubChem CID80727302
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC NameN-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(CN(C)Cc2ccsc2)c(C)s1
InChIInChI=1S/C14H20N2S2/c1-11-13(6-14(18-11)7-15-2)9-16(3)8-12-4-5-17-10-12/h4-6,10,15H,7-9H2,1-3H3
InChIKeyFVFICYODBLDOPL-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728155
1-[4-[[(3-bromophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727647
1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727440
4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
CID 80727150
N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
CID 80727693
2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62421937
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 80720176
N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
CID 80727362
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80728052
2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049842
N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
CID 80728304
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80721333

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine (CID 80727302) is N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine is CNCc1cc(CN(C)Cc2ccsc2)c(C)s1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine?
The InChIKey is FVFICYODBLDOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-11-13(6-14(18-11)7-15-2)9-16(3)8-12-4-5-17-10-12/h4-6,10,15H,7-9H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine has a molecular weight of 280.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80727302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).