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

C17H32N2O2 — CID 63770336

IUPAC8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCNCC1(CN2C3CCC2CC(O)C3)CCOCC1
InChIInChI=1S/C17H32N2O2/c1-2-7-18-12-17(5-8-21-9-6-17)13-19-14-3-4-15(19)11-16(20)10-14/h14-16,18,20H,2-13H2,1H3
InChIKeyFPLZRSWKIXAFJU-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.77
Rot. Bonds6

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

8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63770336) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63770336
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCNCC1(CN2C3CCC2CC(O)C3)CCOCC1
InChIInChI=1S/C17H32N2O2/c1-2-7-18-12-17(5-8-21-9-6-17)13-19-14-3-4-15(19)11-16(20)10-14/h14-16,18,20H,2-13H2,1H3
InChIKeyFPLZRSWKIXAFJU-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770155
1-[[4-(propylaminomethyl)oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674033
8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768584
N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391631
N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 103502607
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066618
N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine
CID 104960649
N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62263535
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347
N-[[4-[(3-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391828
N-[[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 102886553
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066713

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63770336) is 8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCCNCC1(CN2C3CCC2CC(O)C3)CCOCC1.
What is the InChIKey of 8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FPLZRSWKIXAFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-7-18-12-17(5-8-21-9-6-17)13-19-14-3-4-15(19)11-16(20)10-14/h14-16,18,20H,2-13H2,1H3.
What are the key properties of 8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 296.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63770336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).