ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine

C13H20N2 — CID 143278267

IUPACethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine
SMILESC=C/C=c1/nccc(NC)/c1=C/C.CC
InChIInChI=1S/C11H14N2.C2H6/c1-4-6-11-9(5-2)10(12-3)7-8-13-11;1-2/h4-8,12H,1H2,2-3H3;1-2H3/b9-5-,11-6+;
InChIKeyBIJORIQVAULXRC-VHHYKGRWSA-N
MW204.32 g/mol
LogP1.92
Rot. Bonds2

About ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine

ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine (PubChem CID 143278267) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine.

Molecular Properties

Compound Nameethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine
PubChem CID143278267
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Nameethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine
SMILESC=C/C=c1/nccc(NC)/c1=C/C.CC
InChIInChI=1S/C11H14N2.C2H6/c1-4-6-11-9(5-2)10(12-3)7-8-13-11;1-2/h4-8,12H,1H2,2-3H3;1-2H3/b9-5-,11-6+;
InChIKeyBIJORIQVAULXRC-VHHYKGRWSA-N
XLogP1.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 138713182
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
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(6Z)-1H-Pyrrolo[2,3-d]azocine
CID 121232937
[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
praseodymium;6-(1,2,3,6-tetrahydropyridin-5-yl)-2H-pyridin-2-ide
CID 57980781
6,7-Dihydro-1,7-naphthyridine
CID 58988416
N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)
CID 59093785
Methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium
CID 59929322
Methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59929349

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine?
The IUPAC name of ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine (CID 143278267) is ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine.
What is the SMILES notation for ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine?
The canonical SMILES for ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine is C=C/C=c1/nccc(NC)/c1=C/C.CC.
What is the InChIKey of ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine?
The InChIKey is BIJORIQVAULXRC-VHHYKGRWSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-4-6-11-9(5-2)10(12-3)7-8-13-11;1-2/h4-8,12H,1H2,2-3H3;1-2H3/b9-5-,11-6+;.
What are the key properties of ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine?
ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine has a molecular weight of 204.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine is sourced from PubChem (CID 143278267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).