3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol

C10H20N2O2 — CID 105364686

IUPAC3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol
SMILESOCC(O)CNC1CCN2CCC1C2
InChIInChI=1S/C10H20N2O2/c13-7-9(14)5-11-10-2-4-12-3-1-8(10)6-12/h8-11,13-14H,1-7H2
InChIKeyIVYXNJMRTOUGGO-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.98
Rot. Bonds4

About 3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol

3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol (PubChem CID 105364686) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol
PubChem CID105364686
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol
SMILESOCC(O)CNC1CCN2CCC1C2
InChIInChI=1S/C10H20N2O2/c13-7-9(14)5-11-10-2-4-12-3-1-8(10)6-12/h8-11,13-14H,1-7H2
InChIKeyIVYXNJMRTOUGGO-UHFFFAOYSA-N
XLogP-0.98
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol
CID 104931127
N-(3-methoxy-2-methylpropyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364526
2-(1-azabicyclo[3.2.1]octan-4-ylamino)acetamide
CID 105363555
N-cyclopropyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105363554
1-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclobutan-1-ol
CID 105364924
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60899801
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 60901722
N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364921
1-azabicyclo[3.2.1]octan-4-ylhydrazine
CID 105365386
2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol
CID 105364937
N-octyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364790
4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 105366218

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol?
The IUPAC name of 3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol (CID 105364686) is 3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol is OCC(O)CNC1CCN2CCC1C2.
What is the InChIKey of 3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol?
The InChIKey is IVYXNJMRTOUGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-7-9(14)5-11-10-2-4-12-3-1-8(10)6-12/h8-11,13-14H,1-7H2.
What are the key properties of 3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol?
3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol has a molecular weight of 200.28 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol is sourced from PubChem (CID 105364686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).