6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene

C16H24N2O2 — CID 171590841

IUPAC6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
SMILESCC(C)(C)OCC12CCCN1C1Cc3conc3C1C2
InChIInChI=1S/C16H24N2O2/c1-15(2,3)19-10-16-5-4-6-18(16)13-7-11-9-20-17-14(11)12(13)8-16/h9,12-13H,4-8,10H2,1-3H3
InChIKeyJCWSAQFZAPKZKC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.74
Rot. Bonds2

About 6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene

6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene (PubChem CID 171590841) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
PubChem CID171590841
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
SMILESCC(C)(C)OCC12CCCN1C1Cc3conc3C1C2
InChIInChI=1S/C16H24N2O2/c1-15(2,3)19-10-16-5-4-6-18(16)13-7-11-9-20-17-14(11)12(13)8-16/h9,12-13H,4-8,10H2,1-3H3
InChIKeyJCWSAQFZAPKZKC-UHFFFAOYSA-N
XLogP2.74
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene
CID 171590917
6-(3-methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590891
12-[(2-methylpropan-2-yl)oxymethyl]-8-oxa-6,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene
CID 171590883
(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
CID 168881491
(3R,8S)-3-(3,3-dimethylbutyl)-8-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 176734725
1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794097
3,3-dimethyl-1-[1-[[(3R,8R)-8-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]triazol-4-yl]butan-2-one
CID 169289864
8-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 176568432
tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 154631016
(6S,8R)-1',1'-difluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 169315600
[8-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl 4-tert-butyl-2-methylpiperazine-1-carboxylate
CID 176799935
tert-butyl (1R,6R,8R)-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene-6-carboxylate
CID 170564992

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene (CID 171590841) is 6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene is CC(C)(C)OCC12CCCN1C1Cc3conc3C1C2.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The InChIKey is JCWSAQFZAPKZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2,3)19-10-16-5-4-6-18(16)13-7-11-9-20-17-14(11)12(13)8-16/h9,12-13H,4-8,10H2,1-3H3.
What are the key properties of 6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene has a molecular weight of 276.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene is sourced from PubChem (CID 171590841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).