ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine

C14H18N2 — CID 142221946

IUPACethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine
SMILESC=C/C=c1/c(C#CC)c(N)ncc1=C.CC
InChIInChI=1S/C12H12N2.C2H6/c1-4-6-10-9(3)8-14-12(13)11(10)7-5-2;1-2/h4,6,8H,1,3,13H2,2H3;1-2H3/b10-6+;
InChIKeyCDGDUNOJHPISRF-AAGWESIMSA-N
MW214.31 g/mol
LogP1.44
Rot. Bonds1

About ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine

ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine (PubChem CID 142221946) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine.

Molecular Properties

Compound Nameethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine
PubChem CID142221946
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Nameethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine
SMILESC=C/C=c1/c(C#CC)c(N)ncc1=C.CC
InChIInChI=1S/C12H12N2.C2H6/c1-4-6-10-9(3)8-14-12(13)11(10)7-5-2;1-2/h4,6,8H,1,3,13H2,2H3;1-2H3/b10-6+;
InChIKeyCDGDUNOJHPISRF-AAGWESIMSA-N
XLogP1.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine?
The IUPAC name of ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine (CID 142221946) is ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine.
What is the SMILES notation for ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine?
The canonical SMILES for ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine is C=C/C=c1/c(C#CC)c(N)ncc1=C.CC.
What is the InChIKey of ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine?
The InChIKey is CDGDUNOJHPISRF-AAGWESIMSA-N. The full InChI is InChI=1S/C12H12N2.C2H6/c1-4-6-10-9(3)8-14-12(13)11(10)7-5-2;1-2/h4,6,8H,1,3,13H2,2H3;1-2H3/b10-6+;.
What are the key properties of ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine?
ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine has a molecular weight of 214.31 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine is sourced from PubChem (CID 142221946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).