6-tridecoxyhexane-2,3-diamine

C19H42N2O — CID 54350380

IUPAC6-tridecoxyhexane-2,3-diamine
SMILESCCCCCCCCCCCCCOCCCC(N)C(C)N
InChIInChI=1S/C19H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-17-14-15-19(21)18(2)20/h18-19H,3-17,20-21H2,1-2H3
InChIKeyUFHMABIVFXDBSJ-UHFFFAOYSA-N
MW314.56 g/mol
LogP4.77
Rot. Bonds17

About 6-tridecoxyhexane-2,3-diamine

6-tridecoxyhexane-2,3-diamine (PubChem CID 54350380) has the molecular formula C19H42N2O and a molecular weight of 314.56 g/mol. Its IUPAC name is 6-tridecoxyhexane-2,3-diamine.

Molecular Properties

Compound Name6-tridecoxyhexane-2,3-diamine
PubChem CID54350380
Molecular FormulaC19H42N2O
Molecular Weight314.56 g/mol
Exact Mass314.33
IUPAC Name6-tridecoxyhexane-2,3-diamine
SMILESCCCCCCCCCCCCCOCCCC(N)C(C)N
InChIInChI=1S/C19H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-17-14-15-19(21)18(2)20/h18-19H,3-17,20-21H2,1-2H3
InChIKeyUFHMABIVFXDBSJ-UHFFFAOYSA-N
XLogP4.77
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tridecoxyhexane-2,3-diamine?
The IUPAC name of 6-tridecoxyhexane-2,3-diamine (CID 54350380) is 6-tridecoxyhexane-2,3-diamine.
What is the SMILES notation for 6-tridecoxyhexane-2,3-diamine?
The canonical SMILES for 6-tridecoxyhexane-2,3-diamine is CCCCCCCCCCCCCOCCCC(N)C(C)N.
What is the InChIKey of 6-tridecoxyhexane-2,3-diamine?
The InChIKey is UFHMABIVFXDBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-17-14-15-19(21)18(2)20/h18-19H,3-17,20-21H2,1-2H3.
What are the key properties of 6-tridecoxyhexane-2,3-diamine?
6-tridecoxyhexane-2,3-diamine has a molecular weight of 314.56 g/mol, XLogP of 4.77, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tridecoxyhexane-2,3-diamine is sourced from PubChem (CID 54350380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).