(5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane

C10H18N2O — CID 124709549

IUPAC(5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane
SMILESC1C[C@@H]2NCCN3CCO[C@@H](C1)[C@H]23
InChIInChI=1S/C10H18N2O/c1-2-8-10-9(3-1)13-7-6-12(10)5-4-11-8/h8-11H,1-7H2/t8-,9-,10-/m0/s1
InChIKeyLTOFDPPBDAZZBV-GUBZILKMSA-N
MW182.27 g/mol
LogP0.21
Rot. Bonds

About (5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane

(5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane (PubChem CID 124709549) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane.

Molecular Properties

Compound Name(5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane
PubChem CID124709549
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane
SMILESC1C[C@@H]2NCCN3CCO[C@@H](C1)[C@H]23
InChIInChI=1S/C10H18N2O/c1-2-8-10-9(3-1)13-7-6-12(10)5-4-11-8/h8-11H,1-7H2/t8-,9-,10-/m0/s1
InChIKeyLTOFDPPBDAZZBV-GUBZILKMSA-N
XLogP0.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane?
The IUPAC name of (5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane (CID 124709549) is (5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane.
What is the SMILES notation for (5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane?
The canonical SMILES for (5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane is C1C[C@@H]2NCCN3CCO[C@@H](C1)[C@H]23.
What is the InChIKey of (5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane?
The InChIKey is LTOFDPPBDAZZBV-GUBZILKMSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-8-10-9(3-1)13-7-6-12(10)5-4-11-8/h8-11H,1-7H2/t8-,9-,10-/m0/s1.
What are the key properties of (5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane?
(5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane has a molecular weight of 182.27 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S,13S)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]tridecane is sourced from PubChem (CID 124709549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).