(E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine

C24H37N3 — CID 134379596

IUPAC(E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C(C(\CC1CCCCC1)=N\[H])/N1CCCCC1)C1=C(C)CCC(C)=C1
InChIInChI=1S/C24H37N3/c1-18-11-12-19(2)21(15-18)22(25)17-24(27-13-7-4-8-14-27)23(26)16-20-9-5-3-6-10-20/h15,17,20,25-26H,3-14,16H2,1-2H3/b24-17+,25-22-,26-23+
InChIKeyVWPGBUSNOUSBTE-QZWFQUDDSA-N
MW367.58 g/mol
LogP6.42
Rot. Bonds6

About (E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine

(E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine (PubChem CID 134379596) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is (E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine.

Molecular Properties

Compound Name(E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine
PubChem CID134379596
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC Name(E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C(C(\CC1CCCCC1)=N\[H])/N1CCCCC1)C1=C(C)CCC(C)=C1
InChIInChI=1S/C24H37N3/c1-18-11-12-19(2)21(15-18)22(25)17-24(27-13-7-4-8-14-27)23(26)16-20-9-5-3-6-10-20/h15,17,20,25-26H,3-14,16H2,1-2H3/b24-17+,25-22-,26-23+
InChIKeyVWPGBUSNOUSBTE-QZWFQUDDSA-N
XLogP6.42
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine?
The IUPAC name of (E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine (CID 134379596) is (E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine.
What is the SMILES notation for (E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine?
The canonical SMILES for (E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine is [H]/N=C(/C=C(C(\CC1CCCCC1)=N\[H])/N1CCCCC1)C1=C(C)CCC(C)=C1.
What is the InChIKey of (E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine?
The InChIKey is VWPGBUSNOUSBTE-QZWFQUDDSA-N. The full InChI is InChI=1S/C24H37N3/c1-18-11-12-19(2)21(15-18)22(25)17-24(27-13-7-4-8-14-27)23(26)16-20-9-5-3-6-10-20/h15,17,20,25-26H,3-14,16H2,1-2H3/b24-17+,25-22-,26-23+.
What are the key properties of (E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine?
(E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine has a molecular weight of 367.58 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclohexyl-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-1-ylpent-2-ene-1,4-diimine is sourced from PubChem (CID 134379596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).