2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine

C12H24N2O2 — CID 66391298

IUPAC2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
SMILESCCC(CN)(COC)N1CC2CCC(C1)O2
InChIInChI=1S/C12H24N2O2/c1-3-12(8-13,9-15-2)14-6-10-4-5-11(7-14)16-10/h10-11H,3-9,13H2,1-2H3
InChIKeyKJLLMKUWNXUNBP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.60
Rot. Bonds5

About 2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine

2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine (PubChem CID 66391298) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
PubChem CID66391298
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
SMILESCCC(CN)(COC)N1CC2CCC(C1)O2
InChIInChI=1S/C12H24N2O2/c1-3-12(8-13,9-15-2)14-6-10-4-5-11(7-14)16-10/h10-11H,3-9,13H2,1-2H3
InChIKeyKJLLMKUWNXUNBP-UHFFFAOYSA-N
XLogP0.60
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79941209
2-ethyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
CID 114537611
2-(2,6-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropan-1-amine
CID 62534733
2-cyclopentyl-2-(methoxymethyl)butan-1-amine
CID 139927552
4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine
CID 106675754
3-[3-(aminomethyl)pentan-3-yl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690205
2-ethyl-2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 63973829
2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine
CID 107391280
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol
CID 66371587
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 81079462
3-methoxy-2-methyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494738
O-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]hydroxylamine
CID 130963877

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The IUPAC name of 2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine (CID 66391298) is 2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine.
What is the SMILES notation for 2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The canonical SMILES for 2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine is CCC(CN)(COC)N1CC2CCC(C1)O2.
What is the InChIKey of 2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The InChIKey is KJLLMKUWNXUNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(8-13,9-15-2)14-6-10-4-5-11(7-14)16-10/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine is sourced from PubChem (CID 66391298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).