(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine

C15H26N2 — CID 144598444

IUPAC(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
SMILESC/C=C(\C=N/C(=C/CC)N1CCCCC1)CC
InChIInChI=1S/C15H26N2/c1-4-10-15(16-13-14(5-2)6-3)17-11-8-7-9-12-17/h5,10,13H,4,6-9,11-12H2,1-3H3/b14-5-,15-10-,16-13-
InChIKeyXYZDLOTXMZYIQK-CGZHNNHTSA-N
MW234.39 g/mol
LogP4.15
Rot. Bonds5

About (Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine

(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine (PubChem CID 144598444) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
PubChem CID144598444
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
SMILESC/C=C(\C=N/C(=C/CC)N1CCCCC1)CC
InChIInChI=1S/C15H26N2/c1-4-10-15(16-13-14(5-2)6-3)17-11-8-7-9-12-17/h5,10,13H,4,6-9,11-12H2,1-3H3/b14-5-,15-10-,16-13-
InChIKeyXYZDLOTXMZYIQK-CGZHNNHTSA-N
XLogP4.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine with MolForge

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Related Compounds

(E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine
CID 123331055
N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 71389613
(3R)-3-amino-1-[4-[(E)-1-[(Z)-2-methylprop-2-enylideneamino]but-1-enyl]piperazin-1-yl]pentan-1-one
CID 171493036
1-hept-3-en-4-ylpyrrolidine
CID 68591319
1-[(E)-pent-2-en-3-yl]azetidine
CID 5463543
1-(azepan-1-yl)-N-methylpropan-1-imine
CID 123959692
(NZ)-N-(2-methylidenebutylidene)piperidine-1-carboximidamide
CID 143879645
(2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine
CID 177223308
(Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one
CID 101023256
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
1-piperidin-1-ylethanone;propanal
CID 178173122
1-(azepan-1-yl)propan-1-one
CID 3613534

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine?
The IUPAC name of (Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine (CID 144598444) is (Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine?
The canonical SMILES for (Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine is C/C=C(\C=N/C(=C/CC)N1CCCCC1)CC.
What is the InChIKey of (Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine?
The InChIKey is XYZDLOTXMZYIQK-CGZHNNHTSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-10-15(16-13-14(5-2)6-3)17-11-8-7-9-12-17/h5,10,13H,4,6-9,11-12H2,1-3H3/b14-5-,15-10-,16-13-.
What are the key properties of (Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine?
(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine has a molecular weight of 234.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 144598444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).