5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine

C18H26N2 — CID 143046923

IUPAC5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine
SMILESC=C(C)n1cc(C)cc/c1=N\CC(/C=C\CC)=C/CC
InChIInChI=1S/C18H26N2/c1-6-8-10-17(9-7-2)13-19-18-12-11-16(5)14-20(18)15(3)4/h8-12,14H,3,6-7,13H2,1-2,4-5H3/b10-8-,17-9+,19-18+
InChIKeySAAIZNGFPPBAQJ-BXMPWKCJSA-N
MW270.42 g/mol
LogP4.49
Rot. Bonds6

About 5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine

5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine (PubChem CID 143046923) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine.

Molecular Properties

Compound Name5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine
PubChem CID143046923
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine
SMILESC=C(C)n1cc(C)cc/c1=N\CC(/C=C\CC)=C/CC
InChIInChI=1S/C18H26N2/c1-6-8-10-17(9-7-2)13-19-18-12-11-16(5)14-20(18)15(3)4/h8-12,14H,3,6-7,13H2,1-2,4-5H3/b10-8-,17-9+,19-18+
InChIKeySAAIZNGFPPBAQJ-BXMPWKCJSA-N
XLogP4.49
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethyl-4H-pyrido[1,2-a]pyrimidine-4-thione
CID 16456850
N'-[3-[2-fluoroethyl(hexa-3,5-dien-3-yl)amino]-2-methylbuta-1,3-dienyl]-N,N-dimethylethanimidamide
CID 123669469
(2E,4Z,6E)-N-[[3-[(1E,3E)-2-ethenyl-3-methylhexa-1,3-dienyl]-2-methyl-4H-pyrimidin-6-yl]methyl]-7-fluoro-N-methylhepta-2,4,6-trien-3-amine
CID 156544884
N-methyl-1-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-imine
CID 156651505
Ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746972
3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine
CID 172576159
2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
CID 134989134
7-Ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746973
7-butyl-4H-pyrido[1,2-a]pyrimidine
CID 20348005
N,1,4-trimethylpyridin-2-imine
CID 23387651
2,3-Dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 54479691
3H-pyrido[2,1-b]quinazoline
CID 57137694

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine?
The IUPAC name of 5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine (CID 143046923) is 5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine.
What is the SMILES notation for 5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine?
The canonical SMILES for 5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine is C=C(C)n1cc(C)cc/c1=N\CC(/C=C\CC)=C/CC.
What is the InChIKey of 5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine?
The InChIKey is SAAIZNGFPPBAQJ-BXMPWKCJSA-N. The full InChI is InChI=1S/C18H26N2/c1-6-8-10-17(9-7-2)13-19-18-12-11-16(5)14-20(18)15(3)4/h8-12,14H,3,6-7,13H2,1-2,4-5H3/b10-8-,17-9+,19-18+.
What are the key properties of 5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine?
5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine has a molecular weight of 270.42 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-1-en-2-yl-N-[(Z,2E)-2-propylidenehex-3-enyl]pyridin-2-imine is sourced from PubChem (CID 143046923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).