(Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine

C20H26N2O — CID 91826159

IUPAC(Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine
SMILESCC(C)(C)C1CCC(O/N=C\c2cccc3cccnc23)CC1
InChIInChI=1S/C20H26N2O/c1-20(2,3)17-9-11-18(12-10-17)23-22-14-16-7-4-6-15-8-5-13-21-19(15)16/h4-8,13-14,17-18H,9-12H2,1-3H3/b22-14-
InChIKeyPDSYWGSROMESRO-HMAPJEAMSA-N
MW310.44 g/mol
LogP5.19
Rot. Bonds3

About (Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine

(Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine (PubChem CID 91826159) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine.

Molecular Properties

Compound Name(Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine
PubChem CID91826159
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine
SMILESCC(C)(C)C1CCC(O/N=C\c2cccc3cccnc23)CC1
InChIInChI=1S/C20H26N2O/c1-20(2,3)17-9-11-18(12-10-17)23-22-14-16-7-4-6-15-8-5-13-21-19(15)16/h4-8,13-14,17-18H,9-12H2,1-3H3/b22-14-
InChIKeyPDSYWGSROMESRO-HMAPJEAMSA-N
XLogP5.19
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylcyclohexyl) quinoline-8-sulfonate
CID 14266014
N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine
CID 159110850
(E)-N-heptan-2-yloxy-1-quinolin-8-ylmethanimine
CID 91826205
N-(quinolin-8-ylmethylideneamino)aniline
CID 169381691
1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine
CID 139239813
N-(2,4-dimethylphenyl)-1-quinolin-8-ylmethanimine
CID 10635102
cis-quinolin-8-yl (3R,5S)-3,5-ditert-butylcyclohexane-1-carboxylate
CID 7065271
tert-butyl N-[(2R,3S)-3-methyl-1-oxo-1-[(2Z)-2-(quinolin-8-ylmethylidene)hydrazinyl]pentan-2-yl]carbamate
CID 51553758
tert-butyl N-[(2S)-4-methylsulfanyl-1-oxo-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]butan-2-yl]carbamate
CID 6885080
3-(quinolin-8-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4893215
2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide
CID 3594985
2-quinolin-8-ylpropane-2-thiol
CID 123447185

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine?
The IUPAC name of (Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine (CID 91826159) is (Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine.
What is the SMILES notation for (Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine?
The canonical SMILES for (Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine is CC(C)(C)C1CCC(O/N=C\c2cccc3cccnc23)CC1.
What is the InChIKey of (Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine?
The InChIKey is PDSYWGSROMESRO-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H26N2O/c1-20(2,3)17-9-11-18(12-10-17)23-22-14-16-7-4-6-15-8-5-13-21-19(15)16/h4-8,13-14,17-18H,9-12H2,1-3H3/b22-14-.
What are the key properties of (Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine?
(Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine has a molecular weight of 310.44 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine is sourced from PubChem (CID 91826159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).