(1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene

C20H29NO — CID 134997033

IUPAC(1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene
SMILESC[C@@H]1CCC2C(C1)O[C@H]1c3ccccc3[C@H](C)CN1C2(C)C
InChIInChI=1S/C20H29NO/c1-13-9-10-17-18(11-13)22-19-16-8-6-5-7-15(16)14(2)12-21(19)20(17,3)4/h5-8,13-14,17-19H,9-12H2,1-4H3/t13-,14-,17?,18?,19+/m1/s1
InChIKeyHTCKUAROOPFKAF-RJTZOJGBSA-N
MW299.46 g/mol
LogP4.72
Rot. Bonds

About (1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene

(1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene (PubChem CID 134997033) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene.

Molecular Properties

Compound Name(1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene
PubChem CID134997033
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene
SMILESC[C@@H]1CCC2C(C1)O[C@H]1c3ccccc3[C@H](C)CN1C2(C)C
InChIInChI=1S/C20H29NO/c1-13-9-10-17-18(11-13)22-19-16-8-6-5-7-15(16)14(2)12-21(19)20(17,3)4/h5-8,13-14,17-19H,9-12H2,1-4H3/t13-,14-,17?,18?,19+/m1/s1
InChIKeyHTCKUAROOPFKAF-RJTZOJGBSA-N
XLogP4.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1'-Benzyl-3-ethylspiro[3,4-dihydroisochromene-1,4'-piperidine]
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(R)-1''-benzylspiro[isochroman-1,4''-piperidine]-3-carbonitrile
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(R)-1''-benzyl-3-ethylspiro[isochroman-1,4''-piperidine]
CID 49798667
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Frequently Asked Questions

What is the IUPAC name of (1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene?
The IUPAC name of (1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene (CID 134997033) is (1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene.
What is the SMILES notation for (1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene?
The canonical SMILES for (1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene is C[C@@H]1CCC2C(C1)O[C@H]1c3ccccc3[C@H](C)CN1C2(C)C.
What is the InChIKey of (1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene?
The InChIKey is HTCKUAROOPFKAF-RJTZOJGBSA-N. The full InChI is InChI=1S/C20H29NO/c1-13-9-10-17-18(11-13)22-19-16-8-6-5-7-15(16)14(2)12-21(19)20(17,3)4/h5-8,13-14,17-19H,9-12H2,1-4H3/t13-,14-,17?,18?,19+/m1/s1.
What are the key properties of (1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene?
(1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene has a molecular weight of 299.46 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,15R)-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene is sourced from PubChem (CID 134997033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).