(Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine

C12H22N2 — CID 143862262

IUPAC(Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
SMILESC/C=C(\C=N\CC)C1CCCCN1C
InChIInChI=1S/C12H22N2/c1-4-11(10-13-5-2)12-8-6-7-9-14(12)3/h4,10,12H,5-9H2,1-3H3/b11-4+,13-10+
InChIKeyFGNIJTXBGMRKNS-KPVKATIHSA-N
MW194.32 g/mol
LogP2.51
Rot. Bonds3

About (Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine

(Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine (PubChem CID 143862262) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
PubChem CID143862262
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
SMILESC/C=C(\C=N\CC)C1CCCCN1C
InChIInChI=1S/C12H22N2/c1-4-11(10-13-5-2)12-8-6-7-9-14(12)3/h4,10,12H,5-9H2,1-3H3/b11-4+,13-10+
InChIKeyFGNIJTXBGMRKNS-KPVKATIHSA-N
XLogP2.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.51
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 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
ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
CID 142878225
(2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine
CID 143420751

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
The IUPAC name of (Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine (CID 143862262) is (Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine is C/C=C(\C=N\CC)C1CCCCN1C.
What is the InChIKey of (Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
The InChIKey is FGNIJTXBGMRKNS-KPVKATIHSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-11(10-13-5-2)12-8-6-7-9-14(12)3/h4,10,12H,5-9H2,1-3H3/b11-4+,13-10+.
What are the key properties of (Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine?
(Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine has a molecular weight of 194.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine is sourced from PubChem (CID 143862262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).