1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol

C16H32N2O2 — CID 60899801

IUPAC1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNC1CN2CCC1CC2
InChIInChI=1S/C16H32N2O2/c1-12(2)8-13(3)20-11-15(19)9-17-16-10-18-6-4-14(16)5-7-18/h12-17,19H,4-11H2,1-3H3
InChIKeyMJSRSIHVBUUJML-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.48
Rot. Bonds8

About 1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol

1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 60899801) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID60899801
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNC1CN2CCC1CC2
InChIInChI=1S/C16H32N2O2/c1-12(2)8-13(3)20-11-15(19)9-17-16-10-18-6-4-14(16)5-7-18/h12-17,19H,4-11H2,1-3H3
InChIKeyMJSRSIHVBUUJML-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol with MolForge

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Related Compounds

1-[(2-methylcyclopentyl)amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 55172046
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 60901722
1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol
CID 80714149
5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol
CID 106122442
1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81396507
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]acetamide
CID 54938876
3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol
CID 105364686
1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60632781
N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121717
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-2,3-dimethylbutan-2-ol
CID 114492721
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989689
1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
CID 106989436

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 60899801) is 1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol is CC(C)CC(C)OCC(O)CNC1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is MJSRSIHVBUUJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)8-13(3)20-11-15(19)9-17-16-10-18-6-4-14(16)5-7-18/h12-17,19H,4-11H2,1-3H3.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 60899801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).