5,5,5-triethoxypentan-1-amine

C11H25NO3 — CID 19733592

IUPAC5,5,5-triethoxypentan-1-amine
SMILESCCOC(CCCCN)(OCC)OCC
InChIInChI=1S/C11H25NO3/c1-4-13-11(14-5-2,15-6-3)9-7-8-10-12/h4-10,12H2,1-3H3
InChIKeyFTTLEQZWBJVHJI-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.88
Rot. Bonds10

About 5,5,5-triethoxypentan-1-amine

5,5,5-triethoxypentan-1-amine (PubChem CID 19733592) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 5,5,5-triethoxypentan-1-amine.

Molecular Properties

Compound Name5,5,5-triethoxypentan-1-amine
PubChem CID19733592
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name5,5,5-triethoxypentan-1-amine
SMILESCCOC(CCCCN)(OCC)OCC
InChIInChI=1S/C11H25NO3/c1-4-13-11(14-5-2,15-6-3)9-7-8-10-12/h4-10,12H2,1-3H3
InChIKeyFTTLEQZWBJVHJI-UHFFFAOYSA-N
XLogP1.88
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5,5,5-triethoxypentan-1-amine 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 5,5,5-triethoxypentan-1-amine?
The IUPAC name of 5,5,5-triethoxypentan-1-amine (CID 19733592) is 5,5,5-triethoxypentan-1-amine.
What is the SMILES notation for 5,5,5-triethoxypentan-1-amine?
The canonical SMILES for 5,5,5-triethoxypentan-1-amine is CCOC(CCCCN)(OCC)OCC.
What is the InChIKey of 5,5,5-triethoxypentan-1-amine?
The InChIKey is FTTLEQZWBJVHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-4-13-11(14-5-2,15-6-3)9-7-8-10-12/h4-10,12H2,1-3H3.
What are the key properties of 5,5,5-triethoxypentan-1-amine?
5,5,5-triethoxypentan-1-amine has a molecular weight of 219.32 g/mol, XLogP of 1.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-triethoxypentan-1-amine is sourced from PubChem (CID 19733592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).