ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine

C14H20N2 — CID 143157890

IUPACethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine
SMILESC/C=C\C=C(/N=C/C)c1ccncc1.CC
InChIInChI=1S/C12H14N2.C2H6/c1-3-5-6-12(14-4-2)11-7-9-13-10-8-11;1-2/h3-10H,1-2H3;1-2H3/b5-3-,12-6-,14-4+;
InChIKeyPFTICSATDDWIRW-MRGNLKLKSA-N
MW216.33 g/mol
LogP4.12
Rot. Bonds3

About ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine

ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine (PubChem CID 143157890) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine
PubChem CID143157890
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Nameethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine
SMILESC/C=C\C=C(/N=C/C)c1ccncc1.CC
InChIInChI=1S/C12H14N2.C2H6/c1-3-5-6-12(14-4-2)11-7-9-13-10-8-11;1-2/h3-10H,1-2H3;1-2H3/b5-3-,12-6-,14-4+;
InChIKeyPFTICSATDDWIRW-MRGNLKLKSA-N
XLogP4.12
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.12
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

N-[(Z)-prop-1-enyl]-1-pyridin-4-ylethanimine
CID 91982748
1-pyridin-4-ylbut-2-en-1-one
CID 86070863
4-[(3Z)-penta-1,3-dien-2-yl]pyridine
CID 118479579
ethane;4-pyridin-4-ylpyridine
CID 142013036
N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide
CID 167166647
N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide
CID 172958470
3-pyridin-4-ylbut-2-enal
CID 130702758
N-(dipyridin-4-ylmethylideneamino)-1,1-dipyridin-4-ylmethanimine
CID 15883973
2-pyridin-4-ylprop-1-en-1-ol
CID 136628397
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
CID 135617987
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N'-tert-butylpyridine-4-carboximidamide
CID 63181474

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine?
The IUPAC name of ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine (CID 143157890) is ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine.
What is the SMILES notation for ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine?
The canonical SMILES for ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine is C/C=C\C=C(/N=C/C)c1ccncc1.CC.
What is the InChIKey of ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine?
The InChIKey is PFTICSATDDWIRW-MRGNLKLKSA-N. The full InChI is InChI=1S/C12H14N2.C2H6/c1-3-5-6-12(14-4-2)11-7-9-13-10-8-11;1-2/h3-10H,1-2H3;1-2H3/b5-3-,12-6-,14-4+;.
What are the key properties of ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine?
ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine has a molecular weight of 216.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine is sourced from PubChem (CID 143157890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).