N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine

C13H24N2S — CID 80727693

IUPACN-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
SMILESCCN(Cc1cc(CNC)sc1C)C(C)C
InChIInChI=1S/C13H24N2S/c1-6-15(10(2)3)9-12-7-13(8-14-5)16-11(12)4/h7,10,14H,6,8-9H2,1-5H3
InChIKeyJYGGZOFEXBCBIM-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.01
Rot. Bonds6

About N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine

N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine (PubChem CID 80727693) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
PubChem CID80727693
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
SMILESCCN(Cc1cc(CNC)sc1C)C(C)C
InChIInChI=1S/C13H24N2S/c1-6-15(10(2)3)9-12-7-13(8-14-5)16-11(12)4/h7,10,14H,6,8-9H2,1-5H3
InChIKeyJYGGZOFEXBCBIM-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine
CID 80727866
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80727269
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80720719
2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine
CID 80728615
N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
CID 80727362
2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191711
1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728155
N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80719485
N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 82942281
1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727440
N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80727302
N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine
CID 80728158

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine?
The IUPAC name of N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine (CID 80727693) is N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine is CCN(Cc1cc(CNC)sc1C)C(C)C.
What is the InChIKey of N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine?
The InChIKey is JYGGZOFEXBCBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-15(10(2)3)9-12-7-13(8-14-5)16-11(12)4/h7,10,14H,6,8-9H2,1-5H3.
What are the key properties of N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine?
N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 80727693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).