1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane

C10H19NO — CID 169175858

IUPAC1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane
SMILESCOCC12CC(C)CC(C1)N2C
InChIInChI=1S/C10H19NO/c1-8-4-9-6-10(5-8,7-12-3)11(9)2/h8-9H,4-7H2,1-3H3
InChIKeyTWQDBZDAUBXNHF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds2

About 1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane

1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane (PubChem CID 169175858) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane
PubChem CID169175858
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane
SMILESCOCC12CC(C)CC(C1)N2C
InChIInChI=1S/C10H19NO/c1-8-4-9-6-10(5-8,7-12-3)11(9)2/h8-9H,4-7H2,1-3H3
InChIKeyTWQDBZDAUBXNHF-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 1-(methoxymethyl)-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 176940212
1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane
CID 139399772
(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
CID 168881491
2-(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)acetonitrile
CID 176677519
4-(methoxymethyl)-1,2,6-trimethylpiperidin-4-amine
CID 83907030
5-(methoxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexane
CID 171817491
(3R,5S,7S)-3-fluoro-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
CID 168881567
1,1-bis(methoxymethyl)-3-propylcyclobutane
CID 141062334
1-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64752832
3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 146049054
1,1-diethyl-3,5-dimethylcyclohexane
CID 91010762
4,7-dimethyl-4-azatricyclo[3.3.1.01,3]nonane
CID 59352970

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane (CID 169175858) is 1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane is COCC12CC(C)CC(C1)N2C.
What is the InChIKey of 1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane?
The InChIKey is TWQDBZDAUBXNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-4-9-6-10(5-8,7-12-3)11(9)2/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane?
1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane has a molecular weight of 169.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 169175858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).