CID 153331427

C12H25LrN2O- — CID 153331427

IUPAC—
SMILESC[C-]1CCCOCCN(C(C)C)CCN1.[Lr]
InChIInChI=1S/C12H25N2O.Lr/c1-11(2)14-7-6-13-12(3)5-4-9-15-10-8-14;/h11,13H,4-10H2,1-3H3;/q-1;
InChIKeyVFTQJWLDPYYIFC-UHFFFAOYSA-N
MW475.35 g/mol
LogP1.65
Rot. Bonds1

About CID 153331427

CID 153331427 (PubChem CID 153331427) has the molecular formula C12H25LrN2O- and a molecular weight of 475.35 g/mol.

Molecular Properties

Compound NameCID 153331427
PubChem CID153331427
Molecular FormulaC12H25LrN2O-
Molecular Weight475.35 g/mol
Exact Mass475.31
IUPAC Name—
SMILESC[C-]1CCCOCCN(C(C)C)CCN1.[Lr]
InChIInChI=1S/C12H25N2O.Lr/c1-11(2)14-7-6-13-12(3)5-4-9-15-10-8-14;/h11,13H,4-10H2,1-3H3;/q-1;
InChIKeyVFTQJWLDPYYIFC-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153331427?
The IUPAC name of CID 153331427 (CID 153331427) is not available.
What is the SMILES notation for CID 153331427?
The canonical SMILES for CID 153331427 is C[C-]1CCCOCCN(C(C)C)CCN1.[Lr].
What is the InChIKey of CID 153331427?
The InChIKey is VFTQJWLDPYYIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O.Lr/c1-11(2)14-7-6-13-12(3)5-4-9-15-10-8-14;/h11,13H,4-10H2,1-3H3;/q-1;.
What are the key properties of CID 153331427?
CID 153331427 has a molecular weight of 475.35 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153331427 is sourced from PubChem (CID 153331427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).