N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine

C13H18N2 — CID 123728820

IUPACN-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine
SMILESC=C(/N=C/C)C1=CCN=C/C1=C(/C)CC
InChIInChI=1S/C13H18N2/c1-5-10(3)13-9-14-8-7-12(13)11(4)15-6-2/h6-7,9H,4-5,8H2,1-3H3/b13-10+,15-6+
InChIKeyXRZRNIZBIYABPN-WSRDVHFHSA-N
MW202.30 g/mol
LogP3.33
Rot. Bonds3

About N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine

N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine (PubChem CID 123728820) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine.

Molecular Properties

Compound NameN-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine
PubChem CID123728820
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine
SMILESC=C(/N=C/C)C1=CCN=C/C1=C(/C)CC
InChIInChI=1S/C13H18N2/c1-5-10(3)13-9-14-8-7-12(13)11(4)15-6-2/h6-7,9H,4-5,8H2,1-3H3/b13-10+,15-6+
InChIKeyXRZRNIZBIYABPN-WSRDVHFHSA-N
XLogP3.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine with MolForge

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Related Compounds

(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
CID 135128526
6-Cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
CID 91482385
3,4,5-Trimethylcyclopenta[b]pyrrole
CID 21095850
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
6-(3,4-Dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine
CID 57159616
5-methyl-6H-cyclopenta[b]pyrazine
CID 59467405
2-Methylidene-3,4-di(propan-2-yl)pyrrole
CID 60125762
N-(6-methylcyclohexa-1,5-dien-1-yl)ethanimine
CID 68266833
N-[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]ethanimine
CID 68360465
4,5-Dimethylcyclopenta[b]pyrrole
CID 70346083
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
(2E,3Z)-2,3-di(ethylidene)pyridine
CID 88552849

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine?
The IUPAC name of N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine (CID 123728820) is N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine.
What is the SMILES notation for N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine?
The canonical SMILES for N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine is C=C(/N=C/C)C1=CCN=C/C1=C(/C)CC.
What is the InChIKey of N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine?
The InChIKey is XRZRNIZBIYABPN-WSRDVHFHSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-10(3)13-9-14-8-7-12(13)11(4)15-6-2/h6-7,9H,4-5,8H2,1-3H3/b13-10+,15-6+.
What are the key properties of N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine?
N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine has a molecular weight of 202.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine is sourced from PubChem (CID 123728820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).