(1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane

C12H22N2S — CID 143719097

IUPAC(1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane
SMILESCC.CC/C(NC)=c1\scc\c1=C(/C)N
InChIInChI=1S/C10H16N2S.C2H6/c1-4-9(12-3)10-8(7(2)11)5-6-13-10;1-2/h5-6,12H,4,11H2,1-3H3;1-2H3/b8-7-,10-9+;
InChIKeyMDMWFCHJQFXBQY-AXEASZOCSA-N
MW226.39 g/mol
LogP1.60
Rot. Bonds2

About (1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane

(1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane (PubChem CID 143719097) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is (1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane.

Molecular Properties

Compound Name(1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane
PubChem CID143719097
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name(1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane
SMILESCC.CC/C(NC)=c1\scc\c1=C(/C)N
InChIInChI=1S/C10H16N2S.C2H6/c1-4-9(12-3)10-8(7(2)11)5-6-13-10;1-2/h5-6,12H,4,11H2,1-3H3;1-2H3/b8-7-,10-9+;
InChIKeyMDMWFCHJQFXBQY-AXEASZOCSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine
CID 176949668
(2E,4Z)-N-methyl-6-(methylsulfanylmethyl)hepta-2,4,6-trien-3-amine
CID 134516437
4-N-methyl-2,3-dihydrothiepine-4,5-diamine
CID 141781836
(4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine
CID 144626603
(2E,4Z)-N,6-dimethyl-7-methylsulfanylhepta-2,4-dien-3-amine
CID 166777625
methanamine;(3E,5Z)-2-methyl-N-(2-methylsulfanylethyl)hepta-1,3,5-trien-3-amine
CID 168964961
(4Z,5E)-5-ethylidene-2-N,3-N-dimethyl-4-prop-2-enylidenethiophene-2,3-diamine
CID 169810715
N,2,4-trimethyl-5-methylsulfanylcyclohepta-1,3,6-trien-1-amine
CID 175610129
(2E,4Z,6E,7Z)-7-[(E)-but-1-enyl]sulfanyl-6-ethylidene-4-[(3E)-hexa-1,3-dien-3-yl]-N-methylnona-2,4,7-trien-2-amine
CID 142583792
(2E,4Z,6E,7Z)-4-buta-1,3-dien-2-yl-7-ethenylsulfanyl-6-ethylidene-N-methylnona-2,4,7-trien-2-amine
CID 142584708
(1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine
CID 143719098
(3E,5Z)-2-methyl-N-(2-methylsulfanylethyl)hepta-1,3,5-trien-3-amine
CID 168964962

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane?
The IUPAC name of (1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane (CID 143719097) is (1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane.
What is the SMILES notation for (1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane?
The canonical SMILES for (1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane is CC.CC/C(NC)=c1\scc\c1=C(/C)N.
What is the InChIKey of (1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane?
The InChIKey is MDMWFCHJQFXBQY-AXEASZOCSA-N. The full InChI is InChI=1S/C10H16N2S.C2H6/c1-4-9(12-3)10-8(7(2)11)5-6-13-10;1-2/h5-6,12H,4,11H2,1-3H3;1-2H3/b8-7-,10-9+;.
What are the key properties of (1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane?
(1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane has a molecular weight of 226.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane is sourced from PubChem (CID 143719097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).