2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane

C11H21NO — CID 177126114

IUPAC2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane
SMILESCC(C)OCC12CCC1CCN2C
InChIInChI=1S/C11H21NO/c1-9(2)13-8-11-6-4-10(11)5-7-12(11)3/h9-10H,4-8H2,1-3H3
InChIKeyLPBITDZZIGQCRY-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.90
Rot. Bonds3

About 2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane

2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane (PubChem CID 177126114) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane
PubChem CID177126114
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane
SMILESCC(C)OCC12CCC1CCN2C
InChIInChI=1S/C11H21NO/c1-9(2)13-8-11-6-4-10(11)5-7-12(11)3/h9-10H,4-8H2,1-3H3
InChIKeyLPBITDZZIGQCRY-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-4-fluoro-5-(propan-2-yloxymethyl)-1-azabicyclo[3.2.0]heptane
CID 177126322
2-ethyl-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568736
2-(methoxymethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568360
[1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol
CID 169202555
4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine
CID 176568410
(2R,8S)-2-methyl-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 167196327
1-(propan-2-yloxymethyl)-4-propylcyclohexan-1-ol
CID 79568462
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231
(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 175612155
2-(methoxymethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 176926874
1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 79567229
4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 59401509

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane?
The IUPAC name of 2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane (CID 177126114) is 2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane?
The canonical SMILES for 2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane is CC(C)OCC12CCC1CCN2C.
What is the InChIKey of 2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane?
The InChIKey is LPBITDZZIGQCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)13-8-11-6-4-10(11)5-7-12(11)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane?
2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane has a molecular weight of 183.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 177126114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).