CID 58998231

C11H20N2O — CID 58998231

IUPAC—
SMILES[CH]C1(N2CCN(C)CC2)CCOCC1
InChIInChI=1S/C11H20N2O/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h1H,3-10H2,2H3
InChIKeyIYUWSXLRHVYRBG-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.49
Rot. Bonds1

About CID 58998231

CID 58998231 (PubChem CID 58998231) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol.

Molecular Properties

Compound NameCID 58998231
PubChem CID58998231
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name—
SMILES[CH]C1(N2CCN(C)CC2)CCOCC1
InChIInChI=1S/C11H20N2O/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h1H,3-10H2,2H3
InChIKeyIYUWSXLRHVYRBG-UHFFFAOYSA-N
XLogP0.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 58998231 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58998231?
The IUPAC name of CID 58998231 (CID 58998231) is not available.
What is the SMILES notation for CID 58998231?
The canonical SMILES for CID 58998231 is [CH]C1(N2CCN(C)CC2)CCOCC1.
What is the InChIKey of CID 58998231?
The InChIKey is IYUWSXLRHVYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(3-9-14-10-4-11)13-7-5-12(2)6-8-13/h1H,3-10H2,2H3.
What are the key properties of CID 58998231?
CID 58998231 has a molecular weight of 196.29 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998231 is sourced from PubChem (CID 58998231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).