3-butoxy-8-hexoxydecane-1,6-diamine

C20H44N2O2 — CID 57226407

IUPAC3-butoxy-8-hexoxydecane-1,6-diamine
SMILESCCCCCCOC(CC)CC(N)CCC(CCN)OCCCC
InChIInChI=1S/C20H44N2O2/c1-4-7-9-10-16-23-19(6-3)17-18(22)11-12-20(13-14-21)24-15-8-5-2/h18-20H,4-17,21-22H2,1-3H3
InChIKeyRTGJSRILMOAESL-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.39
Rot. Bonds18

About 3-butoxy-8-hexoxydecane-1,6-diamine

3-butoxy-8-hexoxydecane-1,6-diamine (PubChem CID 57226407) has the molecular formula C20H44N2O2 and a molecular weight of 344.58 g/mol. Its IUPAC name is 3-butoxy-8-hexoxydecane-1,6-diamine.

Molecular Properties

Compound Name3-butoxy-8-hexoxydecane-1,6-diamine
PubChem CID57226407
Molecular FormulaC20H44N2O2
Molecular Weight344.58 g/mol
Exact Mass344.34
IUPAC Name3-butoxy-8-hexoxydecane-1,6-diamine
SMILESCCCCCCOC(CC)CC(N)CCC(CCN)OCCCC
InChIInChI=1S/C20H44N2O2/c1-4-7-9-10-16-23-19(6-3)17-18(22)11-12-20(13-14-21)24-15-8-5-2/h18-20H,4-17,21-22H2,1-3H3
InChIKeyRTGJSRILMOAESL-UHFFFAOYSA-N
XLogP4.39
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-butoxy-8-hexoxydecane-1,6-diamine 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-butoxy-8-hexoxydecane-1,6-diamine?
The IUPAC name of 3-butoxy-8-hexoxydecane-1,6-diamine (CID 57226407) is 3-butoxy-8-hexoxydecane-1,6-diamine.
What is the SMILES notation for 3-butoxy-8-hexoxydecane-1,6-diamine?
The canonical SMILES for 3-butoxy-8-hexoxydecane-1,6-diamine is CCCCCCOC(CC)CC(N)CCC(CCN)OCCCC.
What is the InChIKey of 3-butoxy-8-hexoxydecane-1,6-diamine?
The InChIKey is RTGJSRILMOAESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O2/c1-4-7-9-10-16-23-19(6-3)17-18(22)11-12-20(13-14-21)24-15-8-5-2/h18-20H,4-17,21-22H2,1-3H3.
What are the key properties of 3-butoxy-8-hexoxydecane-1,6-diamine?
3-butoxy-8-hexoxydecane-1,6-diamine has a molecular weight of 344.58 g/mol, XLogP of 4.39, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-8-hexoxydecane-1,6-diamine is sourced from PubChem (CID 57226407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).