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

C14H28N2O3 — CID 106992549

IUPAC1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C14H28N2O3/c1-10(8-18-2)19-9-14(17)7-16-12-3-4-13(16)6-11(15)5-12/h10-14,17H,3-9,15H2,1-2H3
InChIKeySLUYLKWUXKFRQM-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.35
Rot. Bonds7

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

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106992549) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106992549
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C14H28N2O3/c1-10(8-18-2)19-9-14(17)7-16-12-3-4-13(16)6-11(15)5-12/h10-14,17H,3-9,15H2,1-2H3
InChIKeySLUYLKWUXKFRQM-UHFFFAOYSA-N
XLogP0.35
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

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Related Compounds

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol
CID 61233729
1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992591
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 114042479
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
CID 106991498
1-[2-(2-aminoethyl)piperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992593
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992598
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
CID 106990753
8-[2-(dimethylamino)propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738305
1-[2-(2-hydroxypropyl)azepan-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993188

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106992549) is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CN1C2CCC1CC(N)C2.
What is the InChIKey of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is SLUYLKWUXKFRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(8-18-2)19-9-14(17)7-16-12-3-4-13(16)6-11(15)5-12/h10-14,17H,3-9,15H2,1-2H3.
What are the key properties of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106992549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).