(1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane

C7H13NO — CID 169125677

IUPAC(1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@]2(C)C[C@@H]1CO2
InChIInChI=1S/C7H13NO/c1-7-3-6(4-9-7)8(2)5-7/h6H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyHYWLOUYZEUNGJA-RNFRBKRXSA-N
MW127.19 g/mol
LogP0.48
Rot. Bonds

About (1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane

(1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 169125677) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID169125677
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@]2(C)C[C@@H]1CO2
InChIInChI=1S/C7H13NO/c1-7-3-6(4-9-7)8(2)5-7/h6H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyHYWLOUYZEUNGJA-RNFRBKRXSA-N
XLogP0.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 123489694
ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
CID 164868719
(2R)-1,2,4,4-tetramethylpyrrolidine
CID 93499502
(1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane
CID 59895923
2,4,4,6-tetramethyloxazinane
CID 87072358
CID 174094547
CID 174094547
1,4-dimethyl-2,6-dioxabicyclo[3.2.1]octane
CID 123582497
(7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane
CID 176639327
(6R,8aS)-3,3,6-trimethyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-5-one
CID 15402243
(1S)-5-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-1-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 146175096
(2S)-4-fluoro-1,2,4-trimethylpyrrolidine
CID 90327705
2-methyl-7-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 155238981

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 169125677) is (1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane is CN1C[C@@]2(C)C[C@@H]1CO2.
What is the InChIKey of (1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is HYWLOUYZEUNGJA-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13NO/c1-7-3-6(4-9-7)8(2)5-7/h6H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
(1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 127.19 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 169125677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).