2-(oxiran-2-ylmethoxy)hexan-3-amine

C9H19NO2 — CID 163429320

IUPAC2-(oxiran-2-ylmethoxy)hexan-3-amine
SMILESCCCC(N)C(C)OCC1CO1
InChIInChI=1S/C9H19NO2/c1-3-4-9(10)7(2)11-5-8-6-12-8/h7-9H,3-6,10H2,1-2H3
InChIKeyAPCQOCYTIXIEPW-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds6

About 2-(oxiran-2-ylmethoxy)hexan-3-amine

2-(oxiran-2-ylmethoxy)hexan-3-amine (PubChem CID 163429320) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)hexan-3-amine.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)hexan-3-amine
PubChem CID163429320
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-(oxiran-2-ylmethoxy)hexan-3-amine
SMILESCCCC(N)C(C)OCC1CO1
InChIInChI=1S/C9H19NO2/c1-3-4-9(10)7(2)11-5-8-6-12-8/h7-9H,3-6,10H2,1-2H3
InChIKeyAPCQOCYTIXIEPW-UHFFFAOYSA-N
XLogP0.92
TPSA47.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(oxiran-2-ylmethoxy)hexan-3-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 2-(oxiran-2-ylmethoxy)hexan-3-amine?
The IUPAC name of 2-(oxiran-2-ylmethoxy)hexan-3-amine (CID 163429320) is 2-(oxiran-2-ylmethoxy)hexan-3-amine.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)hexan-3-amine?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)hexan-3-amine is CCCC(N)C(C)OCC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)hexan-3-amine?
The InChIKey is APCQOCYTIXIEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-9(10)7(2)11-5-8-6-12-8/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 2-(oxiran-2-ylmethoxy)hexan-3-amine?
2-(oxiran-2-ylmethoxy)hexan-3-amine has a molecular weight of 173.26 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)hexan-3-amine is sourced from PubChem (CID 163429320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).