CID 90309566

C12H24N2Na2O — CID 90309566

IUPAC—
SMILESCCCCCCCC1=NCCN1CCO.[Na].[Na]
InChIInChI=1S/C12H24N2O.2Na/c1-2-3-4-5-6-7-12-13-8-9-14(12)10-11-15;;/h15H,2-11H2,1H3;;
InChIKeyPOVONHJWRWBZHP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.29
Rot. Bonds8

About CID 90309566

CID 90309566 (PubChem CID 90309566) has the molecular formula C12H24N2Na2O and a molecular weight of 258.32 g/mol.

Molecular Properties

Compound NameCID 90309566
PubChem CID90309566
Molecular FormulaC12H24N2Na2O
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name—
SMILESCCCCCCCC1=NCCN1CCO.[Na].[Na]
InChIInChI=1S/C12H24N2O.2Na/c1-2-3-4-5-6-7-12-13-8-9-14(12)10-11-15;;/h15H,2-11H2,1H3;;
InChIKeyPOVONHJWRWBZHP-UHFFFAOYSA-N
XLogP1.29
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90309566?
The IUPAC name of CID 90309566 (CID 90309566) is not available.
What is the SMILES notation for CID 90309566?
The canonical SMILES for CID 90309566 is CCCCCCCC1=NCCN1CCO.[Na].[Na].
What is the InChIKey of CID 90309566?
The InChIKey is POVONHJWRWBZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.2Na/c1-2-3-4-5-6-7-12-13-8-9-14(12)10-11-15;;/h15H,2-11H2,1H3;;.
What are the key properties of CID 90309566?
CID 90309566 has a molecular weight of 258.32 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90309566 is sourced from PubChem (CID 90309566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).