1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine

C20H24N2 — CID 139239813

IUPAC1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine
SMILESCC1C(/N=C/c2cccc3cccnc23)CC2CC1C2(C)C
InChIInChI=1S/C20H24N2/c1-13-17-10-16(20(17,2)3)11-18(13)22-12-15-7-4-6-14-8-5-9-21-19(14)15/h4-9,12-13,16-18H,10-11H2,1-3H3/b22-12+
InChIKeyHMAGBVSVLUWMFJ-WSDLNYQXSA-N
MW292.43 g/mol
LogP4.72
Rot. Bonds2

About 1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine

1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine (PubChem CID 139239813) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine.

Molecular Properties

Compound Name1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine
PubChem CID139239813
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine
SMILESCC1C(/N=C/c2cccc3cccnc23)CC2CC1C2(C)C
InChIInChI=1S/C20H24N2/c1-13-17-10-16(20(17,2)3)11-18(13)22-12-15-7-4-6-14-8-5-9-21-19(14)15/h4-9,12-13,16-18H,10-11H2,1-3H3/b22-12+
InChIKeyHMAGBVSVLUWMFJ-WSDLNYQXSA-N
XLogP4.72
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine
CID 159110850
2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-1,10-phenanthroline
CID 101223235
(Z)-N-(4-tert-butylcyclohexyl)oxy-1-quinolin-8-ylmethanimine
CID 91826159
2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide
CID 3594985
N-(quinolin-8-ylmethylideneamino)aniline
CID 169381691
N-(2,4-dimethylphenyl)-1-quinolin-8-ylmethanimine
CID 10635102
(1R,17R)-18,18-dimethyl-3,6-diazapentacyclo[15.1.1.02,15.04,13.05,10]nonadeca-2(15),3,5(10),6,8,11,13-heptaene
CID 101017077
2,2-dimethyl-3-quinolin-8-yloxycyclobutan-1-ol
CID 66367737
2,6-bis[6-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-2-pyridinyl]pyridine
CID 129292325
3-quinolin-8-ylprop-2-enal
CID 73158990
quinoline-8-selenol
CID 101467585
N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide
CID 59952071

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine?
The IUPAC name of 1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine (CID 139239813) is 1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine.
What is the SMILES notation for 1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine?
The canonical SMILES for 1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine is CC1C(/N=C/c2cccc3cccnc23)CC2CC1C2(C)C.
What is the InChIKey of 1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine?
The InChIKey is HMAGBVSVLUWMFJ-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H24N2/c1-13-17-10-16(20(17,2)3)11-18(13)22-12-15-7-4-6-14-8-5-9-21-19(14)15/h4-9,12-13,16-18H,10-11H2,1-3H3/b22-12+.
What are the key properties of 1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine?
1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine has a molecular weight of 292.43 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanimine is sourced from PubChem (CID 139239813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).