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

C17H34N2 — CID 145198223

IUPACethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)CN1CCCCC1.CC.CC
InChIInChI=1S/C13H22N2.2C2H6/c1-3-4-8-13(11-14-2)12-15-9-6-5-7-10-15;2*1-2/h3-4,8,11H,5-7,9-10,12H2,1-2H3;2*1-2H3/b4-3+,13-8+,14-11+;;
InChIKeyFBTMWYHOMWIGAL-RVOQHDGFSA-N
MW266.47 g/mol
LogP4.73
Rot. Bonds4

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

ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine (PubChem CID 145198223) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine
PubChem CID145198223
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Nameethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)CN1CCCCC1.CC.CC
InChIInChI=1S/C13H22N2.2C2H6/c1-3-4-8-13(11-14-2)12-15-9-6-5-7-10-15;2*1-2/h3-4,8,11H,5-7,9-10,12H2,1-2H3;2*1-2H3/b4-3+,13-8+,14-11+;;
InChIKeyFBTMWYHOMWIGAL-RVOQHDGFSA-N
XLogP4.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.73
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
1-[(1E,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 6912278
1-[(1Z,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 122236672
(2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine
CID 144527572
(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;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine?
The IUPAC name of ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine (CID 145198223) is ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine.
What is the SMILES notation for ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine?
The canonical SMILES for ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine is C/C=C/C=C(\C=N\C)CN1CCCCC1.CC.CC.
What is the InChIKey of ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine?
The InChIKey is FBTMWYHOMWIGAL-RVOQHDGFSA-N. The full InChI is InChI=1S/C13H22N2.2C2H6/c1-3-4-8-13(11-14-2)12-15-9-6-5-7-10-15;2*1-2/h3-4,8,11H,5-7,9-10,12H2,1-2H3;2*1-2H3/b4-3+,13-8+,14-11+;;.
What are the key properties of ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine?
ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine has a molecular weight of 266.47 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 145198223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).