CID 59694694

C10H17NO — CID 59694694

IUPAC—
SMILES[CH]C1CCN(C2CCOCC2)C1
InChIInChI=1S/C10H17NO/c1-9-2-5-11(8-9)10-3-6-12-7-4-10/h1,9-10H,2-8H2
InChIKeyIDPDSSAHOAXRJE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.20
Rot. Bonds1

About CID 59694694

CID 59694694 (PubChem CID 59694694) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol.

Molecular Properties

Compound NameCID 59694694
PubChem CID59694694
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name—
SMILES[CH]C1CCN(C2CCOCC2)C1
InChIInChI=1S/C10H17NO/c1-9-2-5-11(8-9)10-3-6-12-7-4-10/h1,9-10H,2-8H2
InChIKeyIDPDSSAHOAXRJE-UHFFFAOYSA-N
XLogP1.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59694694?
The IUPAC name of CID 59694694 (CID 59694694) is not available.
What is the SMILES notation for CID 59694694?
The canonical SMILES for CID 59694694 is [CH]C1CCN(C2CCOCC2)C1.
What is the InChIKey of CID 59694694?
The InChIKey is IDPDSSAHOAXRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-2-5-11(8-9)10-3-6-12-7-4-10/h1,9-10H,2-8H2.
What are the key properties of CID 59694694?
CID 59694694 has a molecular weight of 167.25 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694694 is sourced from PubChem (CID 59694694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).