ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine

C16H26N2 — CID 142201812

IUPACethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine
SMILESC/C=C\N=C(\C=C/C)c1ccccn1.CC.CC
InChIInChI=1S/C12H14N2.2C2H6/c1-3-7-11(13-9-4-2)12-8-5-6-10-14-12;2*1-2/h3-10H,1-2H3;2*1-2H3/b7-3-,9-4-,13-11-;;
InChIKeyKJIHXWNFIAXHJZ-BQCWGTGOSA-N
MW246.40 g/mol
LogP5.03
Rot. Bonds3

About ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine

ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine (PubChem CID 142201812) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine
PubChem CID142201812
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Nameethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine
SMILESC/C=C\N=C(\C=C/C)c1ccccn1.CC.CC
InChIInChI=1S/C12H14N2.2C2H6/c1-3-7-11(13-9-4-2)12-8-5-6-10-14-12;2*1-2/h3-10H,1-2H3;2*1-2H3/b7-3-,9-4-,13-11-;;
InChIKeyKJIHXWNFIAXHJZ-BQCWGTGOSA-N
XLogP5.03
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine
CID 145320713
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
CID 139420658
ethane;pyridine-2-carbonyl chloride
CID 158598971
(Z)-5-ethenylimino-N,N-dimethyl-5-pyridin-2-ylpent-3-en-1-amine
CID 142200079
2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
(Z)-N-(methylideneamino)-1-pyridin-2-ylprop-1-en-1-amine
CID 144731406
ethane;pyridine-2-carbonyl fluoride
CID 161184414
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
CID 155726107
1-pyridin-2-ylethanethione
CID 89010255

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine?
The IUPAC name of ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine (CID 142201812) is ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine is C/C=C\N=C(\C=C/C)c1ccccn1.CC.CC.
What is the InChIKey of ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine?
The InChIKey is KJIHXWNFIAXHJZ-BQCWGTGOSA-N. The full InChI is InChI=1S/C12H14N2.2C2H6/c1-3-7-11(13-9-4-2)12-8-5-6-10-14-12;2*1-2/h3-10H,1-2H3;2*1-2H3/b7-3-,9-4-,13-11-;;.
What are the key properties of ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine?
ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine has a molecular weight of 246.40 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine is sourced from PubChem (CID 142201812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).