(E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine

C16H22N2 — CID 129238427

IUPAC(E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine
SMILES[H]/N=C/C=C(\CC=CC1CC=CCC1)C(=C)/C=N/C
InChIInChI=1S/C16H22N2/c1-14(13-18-2)16(11-12-17)10-6-9-15-7-4-3-5-8-15/h3-4,6,9,11-13,15,17H,1,5,7-8,10H2,2H3/b9-6?,16-11+,17-12+,18-13+
InChIKeyWBAWXTRBWNHKOV-CACUTNBMSA-N
MW242.37 g/mol
LogP4.12
Rot. Bonds6

About (E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine

(E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine (PubChem CID 129238427) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine.

Molecular Properties

Compound Name(E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine
PubChem CID129238427
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine
SMILES[H]/N=C/C=C(\CC=CC1CC=CCC1)C(=C)/C=N/C
InChIInChI=1S/C16H22N2/c1-14(13-18-2)16(11-12-17)10-6-9-15-7-4-3-5-8-15/h3-4,6,9,11-13,15,17H,1,5,7-8,10H2,2H3/b9-6?,16-11+,17-12+,18-13+
InChIKeyWBAWXTRBWNHKOV-CACUTNBMSA-N
XLogP4.12
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine?
The IUPAC name of (E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine (CID 129238427) is (E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine.
What is the SMILES notation for (E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine?
The canonical SMILES for (E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine is [H]/N=C/C=C(\CC=CC1CC=CCC1)C(=C)/C=N/C.
What is the InChIKey of (E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine?
The InChIKey is WBAWXTRBWNHKOV-CACUTNBMSA-N. The full InChI is InChI=1S/C16H22N2/c1-14(13-18-2)16(11-12-17)10-6-9-15-7-4-3-5-8-15/h3-4,6,9,11-13,15,17H,1,5,7-8,10H2,2H3/b9-6?,16-11+,17-12+,18-13+.
What are the key properties of (E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine?
(E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine has a molecular weight of 242.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-cyclohex-3-en-1-ylprop-2-enyl)-N'-methyl-4-methylidenepent-2-ene-1,5-diimine is sourced from PubChem (CID 129238427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).