ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine

C13H26N2 — CID 142878225

IUPACethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
SMILESC/C=C(\C=N\C)C1CCCCN1C.CC
InChIInChI=1S/C11H20N2.C2H6/c1-4-10(9-12-2)11-7-5-6-8-13(11)3;1-2/h4,9,11H,5-8H2,1-3H3;1-2H3/b10-4+,12-9+;
InChIKeyOWLJDOHLKPNXOB-SCIYWMSCSA-N
MW210.37 g/mol
LogP3.14
Rot. Bonds2

About ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine

ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine (PubChem CID 142878225) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
PubChem CID142878225
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Nameethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
SMILESC/C=C(\C=N\C)C1CCCCN1C.CC
InChIInChI=1S/C11H20N2.C2H6/c1-4-10(9-12-2)11-7-5-6-8-13(11)3;1-2/h4,9,11H,5-8H2,1-3H3;1-2H3/b10-4+,12-9+;
InChIKeyOWLJDOHLKPNXOB-SCIYWMSCSA-N
XLogP3.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 53.14
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

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CID 57074375
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CID 57530991
N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine
CID 70518349
5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
CID 89056573
(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
CID 89154206
1-Methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine
CID 90937325
N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 123907392
5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993
(Z)-N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 134590337
7-Methyl-2,3,4,6,8,9-hexahydropyrido[4,3-b]azepine
CID 141946412
(2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine
CID 143420751
(3Z)-N,1-dimethyl-3-propylidenepiperidin-4-imine
CID 143453287

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
The IUPAC name of ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine (CID 142878225) is ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine is C/C=C(\C=N\C)C1CCCCN1C.CC.
What is the InChIKey of ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
The InChIKey is OWLJDOHLKPNXOB-SCIYWMSCSA-N. The full InChI is InChI=1S/C11H20N2.C2H6/c1-4-10(9-12-2)11-7-5-6-8-13(11)3;1-2/h4,9,11H,5-8H2,1-3H3;1-2H3/b10-4+,12-9+;.
What are the key properties of ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine has a molecular weight of 210.37 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine is sourced from PubChem (CID 142878225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).