N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane

C15H22N2 — CID 169200028

IUPACN-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane
SMILESC=C(C)/C(C)=C(\N=C\C)c1cccnc1.CC
InChIInChI=1S/C13H16N2.C2H6/c1-5-15-13(11(4)10(2)3)12-7-6-8-14-9-12;1-2/h5-9H,2H2,1,3-4H3;1-2H3/b13-11-,15-5+;
InChIKeyZCUVKZYWGZSUIH-MAJUBXOBSA-N
MW230.35 g/mol
LogP4.51
Rot. Bonds3

About N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane

N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane (PubChem CID 169200028) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane.

Molecular Properties

Compound NameN-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane
PubChem CID169200028
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane
SMILESC=C(C)/C(C)=C(\N=C\C)c1cccnc1.CC
InChIInChI=1S/C13H16N2.C2H6/c1-5-15-13(11(4)10(2)3)12-7-6-8-14-9-12;1-2/h5-9H,2H2,1,3-4H3;1-2H3/b13-11-,15-5+;
InChIKeyZCUVKZYWGZSUIH-MAJUBXOBSA-N
XLogP4.51
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine
CID 142492833
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine
CID 130370265
1-pyridin-3-ylethanethione
CID 11815891
N-[(Z)-propylideneamino]-1-pyridin-3-ylethenamine
CID 143941163
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine
CID 143793777
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
3-[(E)-5-methylhex-2-en-2-yl]pyridine
CID 18346839
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine
CID 142226114
2-pyridin-3-ylpent-1-en-3-one
CID 155931297

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane?
The IUPAC name of N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane (CID 169200028) is N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane.
What is the SMILES notation for N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane?
The canonical SMILES for N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane is C=C(C)/C(C)=C(\N=C\C)c1cccnc1.CC.
What is the InChIKey of N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane?
The InChIKey is ZCUVKZYWGZSUIH-MAJUBXOBSA-N. The full InChI is InChI=1S/C13H16N2.C2H6/c1-5-15-13(11(4)10(2)3)12-7-6-8-14-9-12;1-2/h5-9H,2H2,1,3-4H3;1-2H3/b13-11-,15-5+;.
What are the key properties of N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane?
N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane has a molecular weight of 230.35 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane is sourced from PubChem (CID 169200028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).