(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine

C13H22N2 — CID 145198224

IUPAC(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)CN1CCCCC1
InChIInChI=1S/C13H22N2/c1-3-4-8-13(11-14-2)12-15-9-6-5-7-10-15/h3-4,8,11H,5-7,9-10,12H2,1-2H3/b4-3+,13-8+,14-11+
InChIKeyABTFZQDDOMZOBS-IROKNTAUSA-N
MW206.33 g/mol
LogP2.68
Rot. Bonds4

About (2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine

(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine (PubChem CID 145198224) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine
PubChem CID145198224
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)CN1CCCCC1
InChIInChI=1S/C13H22N2/c1-3-4-8-13(11-14-2)12-15-9-6-5-7-10-15/h3-4,8,11H,5-7,9-10,12H2,1-2H3/b4-3+,13-8+,14-11+
InChIKeyABTFZQDDOMZOBS-IROKNTAUSA-N
XLogP2.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine
CID 91106
(2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine
CID 142084236
ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
CID 143093197
ethane;(Z)-N-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]but-2-en-1-imine
CID 144185321
ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine
CID 145198223
(2Z)-N,N-dimethyl-2-(methyliminomethyl)penta-2,4-dien-1-amine
CID 146647186
1-[(1E,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 6912278
1-(3-Methylbut-2-enylidene)piperidin-1-ium
CID 11805984
1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 122236672
(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
CID 143093198
(Z)-N-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]but-2-en-1-imine
CID 144185322
(2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine
CID 144527572

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine (CID 145198224) is (2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine is C/C=C/C=C(\C=N\C)CN1CCCCC1.
What is the InChIKey of (2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine?
The InChIKey is ABTFZQDDOMZOBS-IROKNTAUSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-4-8-13(11-14-2)12-15-9-6-5-7-10-15/h3-4,8,11H,5-7,9-10,12H2,1-2H3/b4-3+,13-8+,14-11+.
What are the key properties of (2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine?
(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine has a molecular weight of 206.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 145198224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).