(Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine

C20H33N3 — CID 166847000

IUPAC(Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(=N\[H])C1CCCCC1)N1CCC(/C(C)=C/CC)CC1
InChIInChI=1S/C20H33N3/c1-3-7-16(2)17-12-14-23(15-13-17)20(22)11-10-19(21)18-8-5-4-6-9-18/h7,10-11,17-18,21-22H,3-6,8-9,12-15H2,1-2H3/b11-10-,16-7+,21-19-,22-20-
InChIKeyXJDQANXYBNTBHB-SBQPAMEYSA-N
MW315.50 g/mol
LogP5.19
Rot. Bonds5

About (Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine

(Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine (PubChem CID 166847000) has the molecular formula C20H33N3 and a molecular weight of 315.50 g/mol. Its IUPAC name is (Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine
PubChem CID166847000
Molecular FormulaC20H33N3
Molecular Weight315.50 g/mol
Exact Mass315.27
IUPAC Name(Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(=N\[H])C1CCCCC1)N1CCC(/C(C)=C/CC)CC1
InChIInChI=1S/C20H33N3/c1-3-7-16(2)17-12-14-23(15-13-17)20(22)11-10-19(21)18-8-5-4-6-9-18/h7,10-11,17-18,21-22H,3-6,8-9,12-15H2,1-2H3/b11-10-,16-7+,21-19-,22-20-
InChIKeyXJDQANXYBNTBHB-SBQPAMEYSA-N
XLogP5.19
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine?
The IUPAC name of (Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine (CID 166847000) is (Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine?
The canonical SMILES for (Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine is [H]/N=C(/C=C\C(=N\[H])C1CCCCC1)N1CCC(/C(C)=C/CC)CC1.
What is the InChIKey of (Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine?
The InChIKey is XJDQANXYBNTBHB-SBQPAMEYSA-N. The full InChI is InChI=1S/C20H33N3/c1-3-7-16(2)17-12-14-23(15-13-17)20(22)11-10-19(21)18-8-5-4-6-9-18/h7,10-11,17-18,21-22H,3-6,8-9,12-15H2,1-2H3/b11-10-,16-7+,21-19-,22-20-.
What are the key properties of (Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine?
(Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine has a molecular weight of 315.50 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexyl-4-[4-[(E)-pent-2-en-2-yl]piperidin-1-yl]but-2-ene-1,4-diimine is sourced from PubChem (CID 166847000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).