(4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine

C23H35N — CID 155084486

IUPAC(4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine
SMILES[H]/N=C(\C)C(=C)/C(=C\C)CCCC(CC)CCC1=CCC=CC=C1C
InChIInChI=1S/C23H35N/c1-6-21(13-11-15-22(7-2)19(4)20(5)24)16-17-23-14-10-8-9-12-18(23)3/h7-9,12,14,21,24H,4,6,10-11,13,15-17H2,1-3,5H3/b22-7-,24-20+
InChIKeyFNVNKGKFRFQFFF-UDBMWSPPSA-N
MW325.54 g/mol
LogP7.34
Rot. Bonds10

About (4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine

(4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine (PubChem CID 155084486) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is (4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine.

Molecular Properties

Compound Name(4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine
PubChem CID155084486
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name(4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine
SMILES[H]/N=C(\C)C(=C)/C(=C\C)CCCC(CC)CCC1=CCC=CC=C1C
InChIInChI=1S/C23H35N/c1-6-21(13-11-15-22(7-2)19(4)20(5)24)16-17-23-14-10-8-9-12-18(23)3/h7-9,12,14,21,24H,4,6,10-11,13,15-17H2,1-3,5H3/b22-7-,24-20+
InChIKeyFNVNKGKFRFQFFF-UDBMWSPPSA-N
XLogP7.34
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine?
The IUPAC name of (4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine (CID 155084486) is (4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine.
What is the SMILES notation for (4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine?
The canonical SMILES for (4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine is [H]/N=C(\C)C(=C)/C(=C\C)CCCC(CC)CCC1=CCC=CC=C1C.
What is the InChIKey of (4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine?
The InChIKey is FNVNKGKFRFQFFF-UDBMWSPPSA-N. The full InChI is InChI=1S/C23H35N/c1-6-21(13-11-15-22(7-2)19(4)20(5)24)16-17-23-14-10-8-9-12-18(23)3/h7-9,12,14,21,24H,4,6,10-11,13,15-17H2,1-3,5H3/b22-7-,24-20+.
What are the key properties of (4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine?
(4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine has a molecular weight of 325.54 g/mol, XLogP of 7.34, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-8-ethyl-4-ethylidene-10-(7-methylcyclohepta-1,4,6-trien-1-yl)-3-methylidenedecan-2-imine is sourced from PubChem (CID 155084486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).