CID 59032326

C13H27N2O3 — CID 59032326

IUPAC—
SMILESCC1(C)CC(N(CCO)CCO)CC(C)(C)N1[O]
InChIInChI=1S/C13H27N2O3/c1-12(2)9-11(10-13(3,4)15(12)18)14(5-7-16)6-8-17/h11,16-17H,5-10H2,1-4H3
InChIKeyRWGISQGXOYYDEJ-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.64
Rot. Bonds5

About CID 59032326

CID 59032326 (PubChem CID 59032326) has the molecular formula C13H27N2O3 and a molecular weight of 259.37 g/mol.

Molecular Properties

Compound NameCID 59032326
PubChem CID59032326
Molecular FormulaC13H27N2O3
Molecular Weight259.37 g/mol
Exact Mass259.20
IUPAC Name—
SMILESCC1(C)CC(N(CCO)CCO)CC(C)(C)N1[O]
InChIInChI=1S/C13H27N2O3/c1-12(2)9-11(10-13(3,4)15(12)18)14(5-7-16)6-8-17/h11,16-17H,5-10H2,1-4H3
InChIKeyRWGISQGXOYYDEJ-UHFFFAOYSA-N
XLogP0.64
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 59032326?
The IUPAC name of CID 59032326 (CID 59032326) is not available.
What is the SMILES notation for CID 59032326?
The canonical SMILES for CID 59032326 is CC1(C)CC(N(CCO)CCO)CC(C)(C)N1[O].
What is the InChIKey of CID 59032326?
The InChIKey is RWGISQGXOYYDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2O3/c1-12(2)9-11(10-13(3,4)15(12)18)14(5-7-16)6-8-17/h11,16-17H,5-10H2,1-4H3.
What are the key properties of CID 59032326?
CID 59032326 has a molecular weight of 259.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59032326 is sourced from PubChem (CID 59032326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).