3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine

C10H19N3O — CID 123837497

IUPAC3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine
SMILESNN1C2CCC1CN(C1CCOC1)C2
InChIInChI=1S/C10H19N3O/c11-13-8-1-2-9(13)6-12(5-8)10-3-4-14-7-10/h8-10H,1-7,11H2
InChIKeyWODLECYRJVEHJX-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.20
Rot. Bonds1

About 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine

3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine (PubChem CID 123837497) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine
PubChem CID123837497
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine
SMILESNN1C2CCC1CN(C1CCOC1)C2
InChIInChI=1S/C10H19N3O/c11-13-8-1-2-9(13)6-12(5-8)10-3-4-14-7-10/h8-10H,1-7,11H2
InChIKeyWODLECYRJVEHJX-UHFFFAOYSA-N
XLogP-0.20
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine?
The IUPAC name of 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine (CID 123837497) is 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine is NN1C2CCC1CN(C1CCOC1)C2.
What is the InChIKey of 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine?
The InChIKey is WODLECYRJVEHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-13-8-1-2-9(13)6-12(5-8)10-3-4-14-7-10/h8-10H,1-7,11H2.
What are the key properties of 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine?
3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine has a molecular weight of 197.28 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 123837497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).