CID 58998129

C12H21NO — CID 58998129

IUPAC—
SMILES[CH]C1(N2CCOCC2)CCCCCC1
InChIInChI=1S/C12H21NO/c1-12(6-4-2-3-5-7-12)13-8-10-14-11-9-13/h1H,2-11H2
InChIKeyZLEMDFGBUUOAMV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.12
Rot. Bonds1

About CID 58998129

CID 58998129 (PubChem CID 58998129) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol.

Molecular Properties

Compound NameCID 58998129
PubChem CID58998129
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name—
SMILES[CH]C1(N2CCOCC2)CCCCCC1
InChIInChI=1S/C12H21NO/c1-12(6-4-2-3-5-7-12)13-8-10-14-11-9-13/h1H,2-11H2
InChIKeyZLEMDFGBUUOAMV-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58998129?
The IUPAC name of CID 58998129 (CID 58998129) is not available.
What is the SMILES notation for CID 58998129?
The canonical SMILES for CID 58998129 is [CH]C1(N2CCOCC2)CCCCCC1.
What is the InChIKey of CID 58998129?
The InChIKey is ZLEMDFGBUUOAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(6-4-2-3-5-7-12)13-8-10-14-11-9-13/h1H,2-11H2.
What are the key properties of CID 58998129?
CID 58998129 has a molecular weight of 195.31 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998129 is sourced from PubChem (CID 58998129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).