(3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane

C20H31N3 — CID 142371881

IUPAC(3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane
SMILESC=Cc1c(C)c(=C/N=C)/c(=N\CC)n(C2CCCC2)c1=C.CC
InChIInChI=1S/C18H25N3.C2H6/c1-6-16-13(3)17(12-19-5)18(20-7-2)21(14(16)4)15-10-8-9-11-15;1-2/h6,12,15H,1,4-5,7-11H2,2-3H3;1-2H3/b17-12-,20-18+;
InChIKeyQMCIXWPNTWHOOF-BDWMEVMUSA-N
MW313.49 g/mol
LogP3.35
Rot. Bonds4

About (3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane

(3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane (PubChem CID 142371881) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is (3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane.

Molecular Properties

Compound Name(3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane
PubChem CID142371881
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name(3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane
SMILESC=Cc1c(C)c(=C/N=C)/c(=N\CC)n(C2CCCC2)c1=C.CC
InChIInChI=1S/C18H25N3.C2H6/c1-6-16-13(3)17(12-19-5)18(20-7-2)21(14(16)4)15-10-8-9-11-15;1-2/h6,12,15H,1,4-5,7-11H2,2-3H3;1-2H3/b17-12-,20-18+;
InChIKeyQMCIXWPNTWHOOF-BDWMEVMUSA-N
XLogP3.35
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 90790268
Ethyl-(7-ethylidene-4-hexyl-2-pentylimidazo[1,5-a]pyridine-2,4-diium-8-ylidene)-methylazanium
CID 123508403
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797
(3Z)-1-cyclopentyl-3-ethylidene-5-methanimidoyl-N,4-dimethylpyrrol-2-imine
CID 143829563
ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
CID 144801076
ethane;(3Z)-3-ethylidene-1,5-dimethyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine
CID 145149548
(5E)-6-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methyl-5-prop-2-enylidenepyrimidin-4-imine
CID 155120315
N-(1-cyclopentyl-3-methylidene-5-prop-1-en-2-ylpyrrol-2-ylidene)-N'-methylethanimidamide
CID 155716536
(3Z)-1-cyclopentyl-6-methylidene-3-[(methylideneamino)methylidene]-N-(1-methylsulfanylpiperidin-4-yl)pyridin-2-imine
CID 156349310
N-[4-[[(3Z)-1-cyclopentyl-6-methylidene-3-[(methylideneamino)methylidene]-2-pyridinylidene]amino]piperidin-1-yl]sulfanyl-N-methylmethanamine
CID 156349321
(3Z)-N-ethyl-1-(2-methylcyclopentyl)-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine
CID 156349479
(3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine
CID 166750425

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane?
The IUPAC name of (3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane (CID 142371881) is (3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane.
What is the SMILES notation for (3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane?
The canonical SMILES for (3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane is C=Cc1c(C)c(=C/N=C)/c(=N\CC)n(C2CCCC2)c1=C.CC.
What is the InChIKey of (3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane?
The InChIKey is QMCIXWPNTWHOOF-BDWMEVMUSA-N. The full InChI is InChI=1S/C18H25N3.C2H6/c1-6-16-13(3)17(12-19-5)18(20-7-2)21(14(16)4)15-10-8-9-11-15;1-2/h6,12,15H,1,4-5,7-11H2,2-3H3;1-2H3/b17-12-,20-18+;.
What are the key properties of (3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane?
(3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane has a molecular weight of 313.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane is sourced from PubChem (CID 142371881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).