(2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine

C12H19N3 — CID 171810953

IUPAC(2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine
SMILES[H]/N=C(/C=C(\C=N\[H])N1CCCCC1)C(=C)C
InChIInChI=1S/C12H19N3/c1-10(2)12(14)8-11(9-13)15-6-4-3-5-7-15/h8-9,13-14H,1,3-7H2,2H3/b11-8+,13-9+,14-12-
InChIKeySMMKQXXSDVPWCI-MXGFRGNZSA-N
MW205.31 g/mol
LogP2.60
Rot. Bonds4

About (2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine

(2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine (PubChem CID 171810953) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name(2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine
PubChem CID171810953
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine
SMILES[H]/N=C(/C=C(\C=N\[H])N1CCCCC1)C(=C)C
InChIInChI=1S/C12H19N3/c1-10(2)12(14)8-11(9-13)15-6-4-3-5-7-15/h8-9,13-14H,1,3-7H2,2H3/b11-8+,13-9+,14-12-
InChIKeySMMKQXXSDVPWCI-MXGFRGNZSA-N
XLogP2.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,10-Dimethyl-1,2,3,4,8,9-hexahydropyrido[3,2-b]azocin-5-ium
CID 123870333
3-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123946826
2-(4-Ethylidenepiperidin-1-yl)ethanimine
CID 129270348
(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 130413541
2,7-Dimethyl-4,6,8,9-tetrahydropyrido[4,3-b]azepine
CID 134406498
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide
CID 140972577
(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide
CID 140972589
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 142833341
(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine
CID 143506326
ethane;(2E)-N-methyl-2-(1-methyl-3-methylidenepiperidin-2-ylidene)ethanimine
CID 143610086
ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine
CID 145198032

Frequently Asked Questions

What is the IUPAC name of (2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine?
The IUPAC name of (2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine (CID 171810953) is (2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine.
What is the SMILES notation for (2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine?
The canonical SMILES for (2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine is [H]/N=C(/C=C(\C=N\[H])N1CCCCC1)C(=C)C.
What is the InChIKey of (2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine?
The InChIKey is SMMKQXXSDVPWCI-MXGFRGNZSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(2)12(14)8-11(9-13)15-6-4-3-5-7-15/h8-9,13-14H,1,3-7H2,2H3/b11-8+,13-9+,14-12-.
What are the key properties of (2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine?
(2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine has a molecular weight of 205.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-2-piperidin-1-ylhexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 171810953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).