(2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane

C16H25N — CID 163260682

IUPAC(2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane
SMILESC=c1c(C(C)C)c(C)cn/c1=C/C=C\C.CC
InChIInChI=1S/C14H19N.C2H6/c1-6-7-8-13-12(5)14(10(2)3)11(4)9-15-13;1-2/h6-10H,5H2,1-4H3;1-2H3/b7-6-,13-8+;
InChIKeyFRZFYLCNZGDSPP-LSWJTNOOSA-N
MW231.38 g/mol
LogP3.31
Rot. Bonds2

About (2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane

(2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane (PubChem CID 163260682) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane
PubChem CID163260682
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane
SMILESC=c1c(C(C)C)c(C)cn/c1=C/C=C\C.CC
InChIInChI=1S/C14H19N.C2H6/c1-6-7-8-13-12(5)14(10(2)3)11(4)9-15-13;1-2/h6-10H,5H2,1-4H3;1-2H3/b7-6-,13-8+;
InChIKeyFRZFYLCNZGDSPP-LSWJTNOOSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3E,5Z)-3-ethenyl-N-[(Z)-1-fluoro-5-methylhept-3-en-3-yl]-6-methyl-2-methylideneocta-3,5-dien-1-imine
CID 169645766
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-3,4-dihydropyridine
CID 89200020
3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine
CID 90880500
6-Cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine
CID 91311127
2,3-Di(ethylidene)-4-propan-2-ylpyridine
CID 91324852
1-cyclohexa-1,3-dien-1-yl-N-hepta-1,3-dien-4-ylmethanimine
CID 91342502
CID 91587646
CID 91587646
(2E)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-3,4-dimethyl-3H-pyridine
CID 117904067
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-3,4-dihydropyridine
CID 117906908
N-[(1E,3E)-3-methyl-1-(5-methylidene-3,4-dihydropyridin-6-ylidene)hexa-3,5-dienyl]propan-2-imine
CID 118518097

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane (CID 163260682) is (2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane is C=c1c(C(C)C)c(C)cn/c1=C/C=C\C.CC.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane?
The InChIKey is FRZFYLCNZGDSPP-LSWJTNOOSA-N. The full InChI is InChI=1S/C14H19N.C2H6/c1-6-7-8-13-12(5)14(10(2)3)11(4)9-15-13;1-2/h6-10H,5H2,1-4H3;1-2H3/b7-6-,13-8+;.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane?
(2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane has a molecular weight of 231.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane is sourced from PubChem (CID 163260682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).