8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

C17H30N2O2 — CID 63770155

IUPAC8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H30N2O2/c20-16-9-14-3-4-15(10-16)19(14)12-17(5-7-21-8-6-17)11-18-13-1-2-13/h13-16,18,20H,1-12H2
InChIKeyOXLZMYROOOAOHB-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.52
Rot. Bonds5

About 8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63770155) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63770155
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H30N2O2/c20-16-9-14-3-4-15(10-16)19(14)12-17(5-7-21-8-6-17)11-18-13-1-2-13/h13-16,18,20H,1-12H2
InChIKeyOXLZMYROOOAOHB-UHFFFAOYSA-N
XLogP1.52
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770336
1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674198
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392837
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 83221379
N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62931491
2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol
CID 62391797
N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62907143
8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768584
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62390400
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 114800136
8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65006543
N-[[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391826

Frequently Asked Questions

What is the IUPAC name of 8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63770155) is 8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CC1(CNC2CC2)CCOCC1.
What is the InChIKey of 8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is OXLZMYROOOAOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-16-9-14-3-4-15(10-16)19(14)12-17(5-7-21-8-6-17)11-18-13-1-2-13/h13-16,18,20H,1-12H2.
What are the key properties of 8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 294.44 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63770155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).