8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H29N3O2 — CID 58400646

IUPAC8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN(CN1C2CCC1CC(O)C2)N1C2CCC1CC(O)C2
InChIInChI=1S/C16H29N3O2/c1-17(19-13-4-5-14(19)9-16(21)8-13)10-18-11-2-3-12(18)7-15(20)6-11/h11-16,20-21H,2-10H2,1H3
InChIKeyANUQYWNFHLZDQA-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.77
Rot. Bonds3

About 8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 58400646) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID58400646
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN(CN1C2CCC1CC(O)C2)N1C2CCC1CC(O)C2
InChIInChI=1S/C16H29N3O2/c1-17(19-13-4-5-14(19)9-16(21)8-13)10-18-11-2-3-12(18)7-15(20)6-11/h11-16,20-21H,2-10H2,1H3
InChIKeyANUQYWNFHLZDQA-UHFFFAOYSA-N
XLogP0.77
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 58400646) is 8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol is CN(CN1C2CCC1CC(O)C2)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ANUQYWNFHLZDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-17(19-13-4-5-14(19)9-16(21)8-13)10-18-11-2-3-12(18)7-15(20)6-11/h11-16,20-21H,2-10H2,1H3.
What are the key properties of 8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 295.43 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-methylamino]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 58400646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).