(3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine

C18H28N2 — CID 142388191

IUPAC(3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine
SMILESC/C=C(CCC(CC)CCC)\N=C1/N=CC=C/C1=C/C
InChIInChI=1S/C18H28N2/c1-5-10-15(6-2)12-13-17(8-4)20-18-16(7-3)11-9-14-19-18/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3/b16-7-,17-8-,20-18-
InChIKeyIEDBPASRJUFGBN-XKWOWMKVSA-N
MW272.44 g/mol
LogP5.48
Rot. Bonds7

About (3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine

(3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine (PubChem CID 142388191) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine
PubChem CID142388191
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine
SMILESC/C=C(CCC(CC)CCC)\N=C1/N=CC=C/C1=C/C
InChIInChI=1S/C18H28N2/c1-5-10-15(6-2)12-13-17(8-4)20-18-16(7-3)11-9-14-19-18/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3/b16-7-,17-8-,20-18-
InChIKeyIEDBPASRJUFGBN-XKWOWMKVSA-N
XLogP5.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine with MolForge

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Related Compounds

N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine
CID 91459294
N-(2-ethylidene-5-methylhexa-3,5-dienyl)-7,10-dimethyl-8,9-dihydro-7H-pyrazino[1,2-a]azepin-6-imine
CID 123841838
N-[(2E)-7-(3,4-dihydropyridin-6-yl)-3,4-dimethyl-6-prop-1-enyldeca-2,6,9-trien-2-yl]ethanimine
CID 123899882
2-cyclohexa-1,3-dien-1-yl-6-(6-methylcyclohex-3-en-1-yl)-6H-1,3,5-triazepine
CID 129306657
(2E,3Z)-3-(3-ethylhexylidene)-2-prop-2-enylidenepyridine
CID 137505173
8-ethyl-7-methyl-5,6-dihydro-4aH-pyrido[2,3-b]azepine
CID 139342539
ethane;(5E)-4-methylidene-5-[(E)-2-methylidenepent-3-enylidene]-2-propan-2-ylpyrimidine
CID 144153682
(2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide
CID 144535800
2-Cyclohexa-1,5-dien-1-yl-4-hexa-1,5-dien-3-yl-4,5-dihydropyrimidine
CID 156490360
(2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidene-4-propan-2-ylpyridine;ethane
CID 163260682
N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine
CID 163730918

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine?
The IUPAC name of (3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine (CID 142388191) is (3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine.
What is the SMILES notation for (3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine?
The canonical SMILES for (3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine is C/C=C(CCC(CC)CCC)\N=C1/N=CC=C/C1=C/C.
What is the InChIKey of (3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine?
The InChIKey is IEDBPASRJUFGBN-XKWOWMKVSA-N. The full InChI is InChI=1S/C18H28N2/c1-5-10-15(6-2)12-13-17(8-4)20-18-16(7-3)11-9-14-19-18/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3/b16-7-,17-8-,20-18-.
What are the key properties of (3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine?
(3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine has a molecular weight of 272.44 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine is sourced from PubChem (CID 142388191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).