(Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane

C16H27N3 — CID 176694483

IUPAC(Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane
SMILESCC.CC.[H]/N=C(C(/C)=C(C)\C(C)=N\[H])\c1cccnc1
InChIInChI=1S/C12H15N3.2C2H6/c1-8(10(3)13)9(2)12(14)11-5-4-6-15-7-11;2*1-2/h4-7,13-14H,1-3H3;2*1-2H3/b9-8-,13-10+,14-12-;;
InChIKeyZIAJQGJKAFXHCA-DZBFDUSLSA-N
MW261.41 g/mol
LogP4.88
Rot. Bonds3

About (Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane

(Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane (PubChem CID 176694483) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane.

Molecular Properties

Compound Name(Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane
PubChem CID176694483
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane
SMILESCC.CC.[H]/N=C(C(/C)=C(C)\C(C)=N\[H])\c1cccnc1
InChIInChI=1S/C12H15N3.2C2H6/c1-8(10(3)13)9(2)12(14)11-5-4-6-15-7-11;2*1-2/h4-7,13-14H,1-3H3;2*1-2H3/b9-8-,13-10+,14-12-;;
InChIKeyZIAJQGJKAFXHCA-DZBFDUSLSA-N
XLogP4.88
TPSA60.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-bromo-1-pyridin-3-ylbut-2-en-1-imine
CID 118504147
butyl 2-imino-2-pyridin-3-ylacetate
CID 139939287
(3-chloro-1,1,1-trifluoro-4-imino-4-pyridin-3-ylbut-2-en-2-yl)-methylazanium
CID 163612261
1-pyridin-3-ylethanethione
CID 11815891
2-bromo-3-imino-1-pyridin-3-ylprop-1-en-1-amine;(E)-2-bromo-1-pyridin-3-ylbut-2-en-1-imine
CID 158138690
2-imino-N-(1-pyridin-3-ylethyl)propanamide
CID 123297788
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
1-pyridin-3-ylpentan-1-imine
CID 19790330
propyl pyridine-3-carboximidate
CID 11819373
(3,4-dimethylphenyl)-pyridin-3-ylmethanimine
CID 22299343

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane?
The IUPAC name of (Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane (CID 176694483) is (Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane.
What is the SMILES notation for (Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane?
The canonical SMILES for (Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane is CC.CC.[H]/N=C(C(/C)=C(C)\C(C)=N\[H])\c1cccnc1.
What is the InChIKey of (Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane?
The InChIKey is ZIAJQGJKAFXHCA-DZBFDUSLSA-N. The full InChI is InChI=1S/C12H15N3.2C2H6/c1-8(10(3)13)9(2)12(14)11-5-4-6-15-7-11;2*1-2/h4-7,13-14H,1-3H3;2*1-2H3/b9-8-,13-10+,14-12-;;.
What are the key properties of (Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane?
(Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane has a molecular weight of 261.41 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane is sourced from PubChem (CID 176694483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).