1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol

C12H24N2O2 — CID 63928214

IUPAC1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C12H24N2O2/c1-14(7-12(15)8-16-2)11-5-9-3-4-10(6-11)13-9/h9-13,15H,3-8H2,1-2H3
InChIKeyOZKVBWGDKLLANZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.21
Rot. Bonds5

About 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol

1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol (PubChem CID 63928214) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol
PubChem CID63928214
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C12H24N2O2/c1-14(7-12(15)8-16-2)11-5-9-3-4-10(6-11)13-9/h9-13,15H,3-8H2,1-2H3
InChIKeyOZKVBWGDKLLANZ-UHFFFAOYSA-N
XLogP0.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol (CID 63928214) is 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol is COCC(O)CN(C)C1CC2CCC(C1)N2.
What is the InChIKey of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol?
The InChIKey is OZKVBWGDKLLANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(7-12(15)8-16-2)11-5-9-3-4-10(6-11)13-9/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol?
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 63928214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).