CID 58998301

C8H15NO — CID 58998301

IUPAC—
SMILES[CH]C(C)(C)N1CCOCC1
InChIInChI=1S/C8H15NO/c1-8(2,3)9-4-6-10-7-5-9/h1H,4-7H2,2-3H3
InChIKeyQORWDEBLKWLDEY-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.81
Rot. Bonds1

About CID 58998301

CID 58998301 (PubChem CID 58998301) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol.

Molecular Properties

Compound NameCID 58998301
PubChem CID58998301
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name—
SMILES[CH]C(C)(C)N1CCOCC1
InChIInChI=1S/C8H15NO/c1-8(2,3)9-4-6-10-7-5-9/h1H,4-7H2,2-3H3
InChIKeyQORWDEBLKWLDEY-UHFFFAOYSA-N
XLogP0.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 58998301 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 58998301?
The IUPAC name of CID 58998301 (CID 58998301) is not available.
What is the SMILES notation for CID 58998301?
The canonical SMILES for CID 58998301 is [CH]C(C)(C)N1CCOCC1.
What is the InChIKey of CID 58998301?
The InChIKey is QORWDEBLKWLDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,3)9-4-6-10-7-5-9/h1H,4-7H2,2-3H3.
What are the key properties of CID 58998301?
CID 58998301 has a molecular weight of 141.21 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998301 is sourced from PubChem (CID 58998301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).