1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine

C30H46N2O — CID 142032372

IUPAC1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine
SMILESCCCCCCCOC1(C)C=CC(/C(=N/C2CC(C)(C)NC(C)(C)C2)c2ccccc2)=CC1
InChIInChI=1S/C30H46N2O/c1-7-8-9-10-14-21-33-30(6)19-17-25(18-20-30)27(24-15-12-11-13-16-24)31-26-22-28(2,3)32-29(4,5)23-26/h11-13,15-19,26,32H,7-10,14,20-23H2,1-6H3/b31-27+
InChIKeyPODVUYPWIOZCKU-TVKQRKNISA-N
MW450.71 g/mol
LogP7.42
Rot. Bonds10

About 1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine

1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine (PubChem CID 142032372) has the molecular formula C30H46N2O and a molecular weight of 450.71 g/mol. Its IUPAC name is 1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine.

Molecular Properties

Compound Name1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine
PubChem CID142032372
Molecular FormulaC30H46N2O
Molecular Weight450.71 g/mol
Exact Mass450.36
IUPAC Name1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine
SMILESCCCCCCCOC1(C)C=CC(/C(=N/C2CC(C)(C)NC(C)(C)C2)c2ccccc2)=CC1
InChIInChI=1S/C30H46N2O/c1-7-8-9-10-14-21-33-30(6)19-17-25(18-20-30)27(24-15-12-11-13-16-24)31-26-22-28(2,3)32-29(4,5)23-26/h11-13,15-19,26,32H,7-10,14,20-23H2,1-6H3/b31-27+
InChIKeyPODVUYPWIOZCKU-TVKQRKNISA-N
XLogP7.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-pentoxycyclohexa-2,4-dien-1-yl)benzene
CID 154489063
butyl (3R)-3-(benzhydrylideneamino)-1-(1-hydroxyethyl)cyclopentane-1-carboxylate
CID 89246424
2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine
CID 89240552
(2,2,6,6-tetramethylpiperidin-4-yl) benzoate;undecane-2,4-dione
CID 159218803
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
1-octoxy-4-phenyldiazenylcyclohexa-2,4-dien-1-ol
CID 70173104
1-pentoxypentane;1-phenylethenylbenzene
CID 174459575
5-bromo-5-hexoxy-2-phenylcyclohexa-1,3-diene
CID 174534699
phenyl-(4,6,6-trihydroxy-4-octoxycyclohex-2-en-1-yl)methanone
CID 23069385
2-benzyl-5-ethoxy-5-methylcyclohexa-1,3-diene
CID 163853467
(4-dodecoxy-2,4-dihydroxycyclohexa-2,5-dien-1-yl)-phenylmethanone
CID 67207369
(1-pentoxy-4-phenylcyclohexa-2,4-dien-1-yl)boronic acid
CID 174951146

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine?
The IUPAC name of 1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine (CID 142032372) is 1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine.
What is the SMILES notation for 1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine?
The canonical SMILES for 1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine is CCCCCCCOC1(C)C=CC(/C(=N/C2CC(C)(C)NC(C)(C)C2)c2ccccc2)=CC1.
What is the InChIKey of 1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine?
The InChIKey is PODVUYPWIOZCKU-TVKQRKNISA-N. The full InChI is InChI=1S/C30H46N2O/c1-7-8-9-10-14-21-33-30(6)19-17-25(18-20-30)27(24-15-12-11-13-16-24)31-26-22-28(2,3)32-29(4,5)23-26/h11-13,15-19,26,32H,7-10,14,20-23H2,1-6H3/b31-27+.
What are the key properties of 1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine?
1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine has a molecular weight of 450.71 g/mol, XLogP of 7.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptoxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanimine is sourced from PubChem (CID 142032372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).