CID 59033218

C13H24N2OY-2 — CID 59033218

IUPAC—
SMILES[CH2-]C[C@@H](C)N1[CH-]CCC[C@H](NC(C)C)C1=O.[Y]
InChIInChI=1S/C13H24N2O.Y/c1-5-11(4)15-9-7-6-8-12(13(15)16)14-10(2)3;/h9-12,14H,1,5-8H2,2-4H3;/q-2;/t11-,12+;/m1./s1
InChIKeyFZSPIBKZKDWAAT-LYCTWNKOSA-N
MW313.25 g/mol
LogP2.14
Rot. Bonds4

About CID 59033218

CID 59033218 (PubChem CID 59033218) has the molecular formula C13H24N2OY-2 and a molecular weight of 313.25 g/mol.

Molecular Properties

Compound NameCID 59033218
PubChem CID59033218
Molecular FormulaC13H24N2OY-2
Molecular Weight313.25 g/mol
Exact Mass313.10
IUPAC Name—
SMILES[CH2-]C[C@@H](C)N1[CH-]CCC[C@H](NC(C)C)C1=O.[Y]
InChIInChI=1S/C13H24N2O.Y/c1-5-11(4)15-9-7-6-8-12(13(15)16)14-10(2)3;/h9-12,14H,1,5-8H2,2-4H3;/q-2;/t11-,12+;/m1./s1
InChIKeyFZSPIBKZKDWAAT-LYCTWNKOSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 59033218?
The IUPAC name of CID 59033218 (CID 59033218) is not available.
What is the SMILES notation for CID 59033218?
The canonical SMILES for CID 59033218 is [CH2-]C[C@@H](C)N1[CH-]CCC[C@H](NC(C)C)C1=O.[Y].
What is the InChIKey of CID 59033218?
The InChIKey is FZSPIBKZKDWAAT-LYCTWNKOSA-N. The full InChI is InChI=1S/C13H24N2O.Y/c1-5-11(4)15-9-7-6-8-12(13(15)16)14-10(2)3;/h9-12,14H,1,5-8H2,2-4H3;/q-2;/t11-,12+;/m1./s1.
What are the key properties of CID 59033218?
CID 59033218 has a molecular weight of 313.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59033218 is sourced from PubChem (CID 59033218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).