6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene

C16H25N3O — CID 171590917

IUPAC6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene
SMILESCC(C)(C)OCC12CCCN1C1c3ccnn3CC1C2
InChIInChI=1S/C16H25N3O/c1-15(2,3)20-11-16-6-4-8-18(16)14-12(9-16)10-19-13(14)5-7-17-19/h5,7,12,14H,4,6,8-11H2,1-3H3
InChIKeyUMNPASIGACMGPZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.61
Rot. Bonds2

About 6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene

6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene (PubChem CID 171590917) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene
PubChem CID171590917
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene
SMILESCC(C)(C)OCC12CCCN1C1c3ccnn3CC1C2
InChIInChI=1S/C16H25N3O/c1-15(2,3)20-11-16-6-4-8-18(16)14-12(9-16)10-19-13(14)5-7-17-19/h5,7,12,14H,4,6,8-11H2,1-3H3
InChIKeyUMNPASIGACMGPZ-UHFFFAOYSA-N
XLogP2.61
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (1R,6R,8R)-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene-6-carboxylate
CID 170564992
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
6-[(2-methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590841
(3R,8S)-3-(3,3-dimethylbutyl)-8-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 176734725
tert-butyl-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 170897953
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
[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
(2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 175570904
2-[2-[[(3R)-8-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxycarbonylamino]ethoxy]ethyl 2,2-dimethylpropanoate
CID 169289833
4,4-dimethyl-1-[2-[4-[[(3R,8R)-8-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxymethyl]triazol-1-yl]ethylamino]pentan-3-one
CID 169289910
ethane;4-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 142387767

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene (CID 171590917) is 6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene is CC(C)(C)OCC12CCCN1C1c3ccnn3CC1C2.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene?
The InChIKey is UMNPASIGACMGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-15(2,3)20-11-16-6-4-8-18(16)14-12(9-16)10-19-13(14)5-7-17-19/h5,7,12,14H,4,6,8-11H2,1-3H3.
What are the key properties of 6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene?
6-[(2-methylpropan-2-yl)oxymethyl]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene has a molecular weight of 275.40 g/mol, XLogP of 2.61, 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]-2,10,11-triazatetracyclo[6.6.0.02,6.010,14]tetradeca-11,13-diene is sourced from PubChem (CID 171590917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).