N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine

C16H23N3S — CID 107557224

IUPACN-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN(C)Cc2cccc(C)n2)s1
InChIInChI=1S/C16H23N3S/c1-4-17-10-15-8-9-16(20-15)12-19(3)11-14-7-5-6-13(2)18-14/h5-9,17H,4,10-12H2,1-3H3
InChIKeyMSAIGGOCEWXCQG-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.19
Rot. Bonds7

About N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine

N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 107557224) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID107557224
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN(C)Cc2cccc(C)n2)s1
InChIInChI=1S/C16H23N3S/c1-4-17-10-15-8-9-16(20-15)12-19(3)11-14-7-5-6-13(2)18-14/h5-9,17H,4,10-12H2,1-3H3
InChIKeyMSAIGGOCEWXCQG-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906102
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555954
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine
CID 107557297
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine
CID 114238261
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 106532950
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline
CID 107556069
N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267629
N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267272
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline
CID 107556468
N-[[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906229

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine (CID 107557224) is N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(CN(C)Cc2cccc(C)n2)s1.
What is the InChIKey of N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is MSAIGGOCEWXCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-17-10-15-8-9-16(20-15)12-19(3)11-14-7-5-6-13(2)18-14/h5-9,17H,4,10-12H2,1-3H3.
What are the key properties of N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107557224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).