(4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine

C24H38N2 — CID 155095901

IUPAC(4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine
SMILESC=C/C=C(\C)C1CCCC(/N=C/C(C)(C)C/C=C\C=C/C)CCC1N=C
InChIInChI=1S/C24H38N2/c1-7-9-10-11-18-24(4,5)19-26-21-14-12-15-22(20(3)13-8-2)23(25-6)17-16-21/h7-11,13,19,21-23H,2,6,12,14-18H2,1,3-5H3/b9-7-,11-10-,20-13+,26-19+
InChIKeyZDFHKBPZFCAGHJ-OZKAMMSASA-N
MW354.58 g/mol
LogP6.76
Rot. Bonds8

About (4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine

(4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine (PubChem CID 155095901) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is (4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine.

Molecular Properties

Compound Name(4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine
PubChem CID155095901
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name(4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine
SMILESC=C/C=C(\C)C1CCCC(/N=C/C(C)(C)C/C=C\C=C/C)CCC1N=C
InChIInChI=1S/C24H38N2/c1-7-9-10-11-18-24(4,5)19-26-21-14-12-15-22(20(3)13-8-2)23(25-6)17-16-21/h7-11,13,19,21-23H,2,6,12,14-18H2,1,3-5H3/b9-7-,11-10-,20-13+,26-19+
InChIKeyZDFHKBPZFCAGHJ-OZKAMMSASA-N
XLogP6.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 56.76
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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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine?
The IUPAC name of (4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine (CID 155095901) is (4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine.
What is the SMILES notation for (4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine?
The canonical SMILES for (4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine is C=C/C=C(\C)C1CCCC(/N=C/C(C)(C)C/C=C\C=C/C)CCC1N=C.
What is the InChIKey of (4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine?
The InChIKey is ZDFHKBPZFCAGHJ-OZKAMMSASA-N. The full InChI is InChI=1S/C24H38N2/c1-7-9-10-11-18-24(4,5)19-26-21-14-12-15-22(20(3)13-8-2)23(25-6)17-16-21/h7-11,13,19,21-23H,2,6,12,14-18H2,1,3-5H3/b9-7-,11-10-,20-13+,26-19+.
What are the key properties of (4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine?
(4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine has a molecular weight of 354.58 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-2,2-dimethyl-N-[4-(methylideneamino)-5-[(2E)-penta-2,4-dien-2-yl]cyclooctyl]octa-4,6-dien-1-imine is sourced from PubChem (CID 155095901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).