dipentylazanium formate

C11H25NO2 — CID 141173545

IUPACdipentylazanium formate
SMILESCCCCC[NH2+]CCCCC.O=C[O-]
InChIInChI=1S/C10H23N.CH2O2/c1-3-5-7-9-11-10-8-6-4-2;2-1-3/h11H,3-10H2,1-2H3;1H,(H,2,3)
InChIKeySFFGLKJGRWGHCT-UHFFFAOYSA-N
MW203.33 g/mol
LogP0.30
Rot. Bonds8

About dipentylazanium formate

dipentylazanium formate (PubChem CID 141173545) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is dipentylazanium formate.

Molecular Properties

Compound Namedipentylazanium formate
PubChem CID141173545
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Namedipentylazanium formate
SMILESCCCCC[NH2+]CCCCC.O=C[O-]
InChIInChI=1S/C10H23N.CH2O2/c1-3-5-7-9-11-10-8-6-4-2;2-1-3/h11H,3-10H2,1-2H3;1H,(H,2,3)
InChIKeySFFGLKJGRWGHCT-UHFFFAOYSA-N
XLogP0.30
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dipentylazanium formate 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 dipentylazanium formate?
The IUPAC name of dipentylazanium formate (CID 141173545) is dipentylazanium formate.
What is the SMILES notation for dipentylazanium formate?
The canonical SMILES for dipentylazanium formate is CCCCC[NH2+]CCCCC.O=C[O-].
What is the InChIKey of dipentylazanium formate?
The InChIKey is SFFGLKJGRWGHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.CH2O2/c1-3-5-7-9-11-10-8-6-4-2;2-1-3/h11H,3-10H2,1-2H3;1H,(H,2,3).
What are the key properties of dipentylazanium formate?
dipentylazanium formate has a molecular weight of 203.33 g/mol, XLogP of 0.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipentylazanium formate is sourced from PubChem (CID 141173545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).