(2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane

C26H44N2 — CID 169177674

IUPAC(2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane
SMILESC=C/C=c1/c(C2CCCCCCC2)cc(N2CCCC2)n/c1=C/C.CC.CC
InChIInChI=1S/C22H32N2.2C2H6/c1-3-12-19-20(18-13-8-6-5-7-9-14-18)17-22(23-21(19)4-2)24-15-10-11-16-24;2*1-2/h3-4,12,17-18H,1,5-11,13-16H2,2H3;2*1-2H3/b19-12-,21-4+;;
InChIKeyDIEGKSWWTUPLOF-HEBITCFGSA-N
MW384.65 g/mol
LogP6.33
Rot. Bonds3

About (2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane

(2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane (PubChem CID 169177674) has the molecular formula C26H44N2 and a molecular weight of 384.65 g/mol. Its IUPAC name is (2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane.

Molecular Properties

Compound Name(2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane
PubChem CID169177674
Molecular FormulaC26H44N2
Molecular Weight384.65 g/mol
Exact Mass384.35
IUPAC Name(2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane
SMILESC=C/C=c1/c(C2CCCCCCC2)cc(N2CCCC2)n/c1=C/C.CC.CC
InChIInChI=1S/C22H32N2.2C2H6/c1-3-12-19-20(18-13-8-6-5-7-9-14-18)17-22(23-21(19)4-2)24-15-10-11-16-24;2*1-2/h3-4,12,17-18H,1,5-11,13-16H2,2H3;2*1-2H3/b19-12-,21-4+;;
InChIKeyDIEGKSWWTUPLOF-HEBITCFGSA-N
XLogP6.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane with MolForge

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Related Compounds

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CID 123415562
(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine
CID 130374259
N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine
CID 135142655
(3Z,5Z)-4-methylhepta-1,3,5-triene;5-methylidene-3-nonyl-1-propylpyrrolidin-2-imine
CID 141847306
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine;ethene
CID 142947991
N'-[(Z,2E)-2-ethylidenehept-3-enyl]-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylcyclohexanecarboximidamide
CID 166885722
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine
CID 142947992
4-[(3E,5Z)-8-methylnona-3,5-dien-4-yl]-6-pentyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
CID 155735901
(2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine
CID 169177675

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane?
The IUPAC name of (2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane (CID 169177674) is (2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane.
What is the SMILES notation for (2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane?
The canonical SMILES for (2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane is C=C/C=c1/c(C2CCCCCCC2)cc(N2CCCC2)n/c1=C/C.CC.CC.
What is the InChIKey of (2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane?
The InChIKey is DIEGKSWWTUPLOF-HEBITCFGSA-N. The full InChI is InChI=1S/C22H32N2.2C2H6/c1-3-12-19-20(18-13-8-6-5-7-9-14-18)17-22(23-21(19)4-2)24-15-10-11-16-24;2*1-2/h3-4,12,17-18H,1,5-11,13-16H2,2H3;2*1-2H3/b19-12-,21-4+;;.
What are the key properties of (2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane?
(2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane has a molecular weight of 384.65 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane is sourced from PubChem (CID 169177674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).