N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine

C12H20N2S — CID 107557297

IUPACN-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)Cc1ccc(CNCC)s1
InChIInChI=1S/C12H20N2S/c1-4-8-14(3)10-12-7-6-11(15-12)9-13-5-2/h4,6-7,13H,1,5,8-10H2,2-3H3
InChIKeyRLORDAYNMCMKOK-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.48
Rot. Bonds7

About N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine

N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine (PubChem CID 107557297) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine
PubChem CID107557297
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)Cc1ccc(CNCC)s1
InChIInChI=1S/C12H20N2S/c1-4-8-14(3)10-12-7-6-11(15-12)9-13-5-2/h4,6-7,13H,1,5,8-10H2,2-3H3
InChIKeyRLORDAYNMCMKOK-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine
CID 114238261
N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557224
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline
CID 107556468
N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107555656
N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556559
N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107555559
N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556276
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80727884
N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline
CID 107556069
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555362
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62439896

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine (CID 107557297) is N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine is C=CCN(C)Cc1ccc(CNCC)s1.
What is the InChIKey of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine?
The InChIKey is RLORDAYNMCMKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-8-14(3)10-12-7-6-11(15-12)9-13-5-2/h4,6-7,13H,1,5,8-10H2,2-3H3.
What are the key properties of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine?
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 107557297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).