2,2-dipentyl-1,3-oxathian-5-amine

C14H29NOS — CID 71171100

IUPAC2,2-dipentyl-1,3-oxathian-5-amine
SMILESCCCCCC1(CCCCC)OCC(N)CS1
InChIInChI=1S/C14H29NOS/c1-3-5-7-9-14(10-8-6-4-2)16-11-13(15)12-17-14/h13H,3-12,15H2,1-2H3
InChIKeyCPCQZYDHSWXSGX-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.93
Rot. Bonds8

About 2,2-dipentyl-1,3-oxathian-5-amine

2,2-dipentyl-1,3-oxathian-5-amine (PubChem CID 71171100) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2,2-dipentyl-1,3-oxathian-5-amine.

Molecular Properties

Compound Name2,2-dipentyl-1,3-oxathian-5-amine
PubChem CID71171100
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2,2-dipentyl-1,3-oxathian-5-amine
SMILESCCCCCC1(CCCCC)OCC(N)CS1
InChIInChI=1S/C14H29NOS/c1-3-5-7-9-14(10-8-6-4-2)16-11-13(15)12-17-14/h13H,3-12,15H2,1-2H3
InChIKeyCPCQZYDHSWXSGX-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dipentyl-1,3-oxathian-5-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 2,2-dipentyl-1,3-oxathian-5-amine?
The IUPAC name of 2,2-dipentyl-1,3-oxathian-5-amine (CID 71171100) is 2,2-dipentyl-1,3-oxathian-5-amine.
What is the SMILES notation for 2,2-dipentyl-1,3-oxathian-5-amine?
The canonical SMILES for 2,2-dipentyl-1,3-oxathian-5-amine is CCCCCC1(CCCCC)OCC(N)CS1.
What is the InChIKey of 2,2-dipentyl-1,3-oxathian-5-amine?
The InChIKey is CPCQZYDHSWXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-5-7-9-14(10-8-6-4-2)16-11-13(15)12-17-14/h13H,3-12,15H2,1-2H3.
What are the key properties of 2,2-dipentyl-1,3-oxathian-5-amine?
2,2-dipentyl-1,3-oxathian-5-amine has a molecular weight of 259.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipentyl-1,3-oxathian-5-amine is sourced from PubChem (CID 71171100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).