6-(11-methyldodecoxy)hexane-2,3-diamine

C19H42N2O — CID 19902935

IUPAC6-(11-methyldodecoxy)hexane-2,3-diamine
SMILESCC(C)CCCCCCCCCCOCCCC(N)C(C)N
InChIInChI=1S/C19H42N2O/c1-17(2)13-10-8-6-4-5-7-9-11-15-22-16-12-14-19(21)18(3)20/h17-19H,4-16,20-21H2,1-3H3
InChIKeyNIFGVXOWCUMTAY-UHFFFAOYSA-N
MW314.56 g/mol
LogP4.62
Rot. Bonds16

About 6-(11-methyldodecoxy)hexane-2,3-diamine

6-(11-methyldodecoxy)hexane-2,3-diamine (PubChem CID 19902935) has the molecular formula C19H42N2O and a molecular weight of 314.56 g/mol. Its IUPAC name is 6-(11-methyldodecoxy)hexane-2,3-diamine.

Molecular Properties

Compound Name6-(11-methyldodecoxy)hexane-2,3-diamine
PubChem CID19902935
Molecular FormulaC19H42N2O
Molecular Weight314.56 g/mol
Exact Mass314.33
IUPAC Name6-(11-methyldodecoxy)hexane-2,3-diamine
SMILESCC(C)CCCCCCCCCCOCCCC(N)C(C)N
InChIInChI=1S/C19H42N2O/c1-17(2)13-10-8-6-4-5-7-9-11-15-22-16-12-14-19(21)18(3)20/h17-19H,4-16,20-21H2,1-3H3
InChIKeyNIFGVXOWCUMTAY-UHFFFAOYSA-N
XLogP4.62
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(11-methyldodecoxy)hexane-2,3-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 6-(11-methyldodecoxy)hexane-2,3-diamine?
The IUPAC name of 6-(11-methyldodecoxy)hexane-2,3-diamine (CID 19902935) is 6-(11-methyldodecoxy)hexane-2,3-diamine.
What is the SMILES notation for 6-(11-methyldodecoxy)hexane-2,3-diamine?
The canonical SMILES for 6-(11-methyldodecoxy)hexane-2,3-diamine is CC(C)CCCCCCCCCCOCCCC(N)C(C)N.
What is the InChIKey of 6-(11-methyldodecoxy)hexane-2,3-diamine?
The InChIKey is NIFGVXOWCUMTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O/c1-17(2)13-10-8-6-4-5-7-9-11-15-22-16-12-14-19(21)18(3)20/h17-19H,4-16,20-21H2,1-3H3.
What are the key properties of 6-(11-methyldodecoxy)hexane-2,3-diamine?
6-(11-methyldodecoxy)hexane-2,3-diamine has a molecular weight of 314.56 g/mol, XLogP of 4.62, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(11-methyldodecoxy)hexane-2,3-diamine is sourced from PubChem (CID 19902935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).