8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane

C16H29NO2 — CID 170389859

IUPAC8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)(C)OCC1(CN2C3CCC2COC3)CCC1
InChIInChI=1S/C16H29NO2/c1-15(2,3)19-12-16(7-4-8-16)11-17-13-5-6-14(17)10-18-9-13/h13-14H,4-12H2,1-3H3
InChIKeyUNVHLXYWIHYCHT-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.84
Rot. Bonds4

About 8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane

8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 170389859) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID170389859
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)(C)OCC1(CN2C3CCC2COC3)CCC1
InChIInChI=1S/C16H29NO2/c1-15(2,3)19-12-16(7-4-8-16)11-17-13-5-6-14(17)10-18-9-13/h13-14H,4-12H2,1-3H3
InChIKeyUNVHLXYWIHYCHT-UHFFFAOYSA-N
XLogP2.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine
CID 171611844
6-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-oxa-6-azabicyclo[3.1.1]heptane
CID 170385928
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170369368
[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanol
CID 171453952
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine
CID 167387398
ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 169243186
1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
CID 70930204
3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 171453937
N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine
CID 155793886
1-[(2-methylpropan-2-yl)oxymethyl]cyclobutan-1-amine
CID 130564464
3-(2,2-dimethylpropyl)-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
CID 169306148
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 167387422

Frequently Asked Questions

What is the IUPAC name of 8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 170389859) is 8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane is CC(C)(C)OCC1(CN2C3CCC2COC3)CCC1.
What is the InChIKey of 8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is UNVHLXYWIHYCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-15(2,3)19-12-16(7-4-8-16)11-17-13-5-6-14(17)10-18-9-13/h13-14H,4-12H2,1-3H3.
What are the key properties of 8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane?
8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 267.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170389859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).