ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine

C14H28N2 — CID 143093197

IUPACethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
SMILESC/C=C(C)\C=N/C(C)N1CCCCC1.CC
InChIInChI=1S/C12H22N2.C2H6/c1-4-11(2)10-13-12(3)14-8-6-5-7-9-14;1-2/h4,10,12H,5-9H2,1-3H3;1-2H3/b11-4-,13-10-;
InChIKeyLPBPPMMEYSHENL-BVRPKASFSA-N
MW224.39 g/mol
LogP3.88
Rot. Bonds3

About ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine

ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine (PubChem CID 143093197) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
PubChem CID143093197
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
SMILESC/C=C(C)\C=N/C(C)N1CCCCC1.CC
InChIInChI=1S/C12H22N2.C2H6/c1-4-11(2)10-13-12(3)14-8-6-5-7-9-14;1-2/h4,10,12H,5-9H2,1-3H3;1-2H3/b11-4-,13-10-;
InChIKeyLPBPPMMEYSHENL-BVRPKASFSA-N
XLogP3.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.88
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

N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine
CID 57063594
5-Methyl-2-piperidin-1-yl-2,3-dihydropyridine
CID 129215968
ethane;6-methyl-2-piperidin-1-yl-4H-azepine
CID 143901677
ethane;(Z)-N-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]but-2-en-1-imine
CID 144185321
1-(3-Methylbut-2-enylidene)piperidin-1-ium
CID 11805984
(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
CID 143093198
6-methyl-2-piperidin-1-yl-4H-azepine
CID 143901678
(Z)-N-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]but-2-en-1-imine
CID 144185322
(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
CID 144598444
(Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine
CID 144598531
(Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine
CID 144598575
(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine
CID 145198224

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine?
The IUPAC name of ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine (CID 143093197) is ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine.
What is the SMILES notation for ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine?
The canonical SMILES for ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine is C/C=C(C)\C=N/C(C)N1CCCCC1.CC.
What is the InChIKey of ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine?
The InChIKey is LPBPPMMEYSHENL-BVRPKASFSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-4-11(2)10-13-12(3)14-8-6-5-7-9-14;1-2/h4,10,12H,5-9H2,1-3H3;1-2H3/b11-4-,13-10-;.
What are the key properties of ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine?
ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine has a molecular weight of 224.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine is sourced from PubChem (CID 143093197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).