3-amino-3-ethylpentan-1-ol;formic acid

C8H19NO3 — CID 173452352

IUPAC3-amino-3-ethylpentan-1-ol;formic acid
SMILESCCC(N)(CC)CCO.O=CO
InChIInChI=1S/C7H17NO.CH2O2/c1-3-7(8,4-2)5-6-9;2-1-3/h9H,3-6,8H2,1-2H3;1H,(H,2,3)
InChIKeyHNAHIFRZHKKYNV-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.59
Rot. Bonds4

About 3-amino-3-ethylpentan-1-ol;formic acid

3-amino-3-ethylpentan-1-ol;formic acid (PubChem CID 173452352) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 3-amino-3-ethylpentan-1-ol;formic acid.

Molecular Properties

Compound Name3-amino-3-ethylpentan-1-ol;formic acid
PubChem CID173452352
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name3-amino-3-ethylpentan-1-ol;formic acid
SMILESCCC(N)(CC)CCO.O=CO
InChIInChI=1S/C7H17NO.CH2O2/c1-3-7(8,4-2)5-6-9;2-1-3/h9H,3-6,8H2,1-2H3;1H,(H,2,3)
InChIKeyHNAHIFRZHKKYNV-UHFFFAOYSA-N
XLogP0.59
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-3-ethylpentan-1-ol;formic acid 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 3-amino-3-ethylpentan-1-ol;formic acid?
The IUPAC name of 3-amino-3-ethylpentan-1-ol;formic acid (CID 173452352) is 3-amino-3-ethylpentan-1-ol;formic acid.
What is the SMILES notation for 3-amino-3-ethylpentan-1-ol;formic acid?
The canonical SMILES for 3-amino-3-ethylpentan-1-ol;formic acid is CCC(N)(CC)CCO.O=CO.
What is the InChIKey of 3-amino-3-ethylpentan-1-ol;formic acid?
The InChIKey is HNAHIFRZHKKYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.CH2O2/c1-3-7(8,4-2)5-6-9;2-1-3/h9H,3-6,8H2,1-2H3;1H,(H,2,3).
What are the key properties of 3-amino-3-ethylpentan-1-ol;formic acid?
3-amino-3-ethylpentan-1-ol;formic acid has a molecular weight of 177.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethylpentan-1-ol;formic acid is sourced from PubChem (CID 173452352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).