CID 59347745

C6H13NO — CID 59347745

IUPAC—
SMILES[CH]OCCCN(C)C
InChIInChI=1S/C6H13NO/c1-7(2)5-4-6-8-3/h3H,4-6H2,1-2H3
InChIKeyANTMCQIDXCVVET-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.62
Rot. Bonds4

About CID 59347745

CID 59347745 (PubChem CID 59347745) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol.

Molecular Properties

Compound NameCID 59347745
PubChem CID59347745
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name—
SMILES[CH]OCCCN(C)C
InChIInChI=1S/C6H13NO/c1-7(2)5-4-6-8-3/h3H,4-6H2,1-2H3
InChIKeyANTMCQIDXCVVET-UHFFFAOYSA-N
XLogP0.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 59347745 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 59347745?
The IUPAC name of CID 59347745 (CID 59347745) is not available.
What is the SMILES notation for CID 59347745?
The canonical SMILES for CID 59347745 is [CH]OCCCN(C)C.
What is the InChIKey of CID 59347745?
The InChIKey is ANTMCQIDXCVVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-7(2)5-4-6-8-3/h3H,4-6H2,1-2H3.
What are the key properties of CID 59347745?
CID 59347745 has a molecular weight of 115.18 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59347745 is sourced from PubChem (CID 59347745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).