N'-(6-octadecoxyhexyl)decane-1,10-diamine

C34H72N2O — CID 19938811

IUPACN'-(6-octadecoxyhexyl)decane-1,10-diamine
SMILESCCCCCCCCCCCCCCCCCCOCCCCCCNCCCCCCCCCCN
InChIInChI=1S/C34H72N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-23-28-33-37-34-29-24-22-27-32-36-31-26-21-18-15-14-17-20-25-30-35/h36H,2-35H2,1H3
InChIKeyHRZQKUSUVZGTAN-UHFFFAOYSA-N
MW524.96 g/mol
LogP10.49
Rot. Bonds34

About N'-(6-octadecoxyhexyl)decane-1,10-diamine

N'-(6-octadecoxyhexyl)decane-1,10-diamine (PubChem CID 19938811) has the molecular formula C34H72N2O and a molecular weight of 524.96 g/mol. Its IUPAC name is N'-(6-octadecoxyhexyl)decane-1,10-diamine.

Molecular Properties

Compound NameN'-(6-octadecoxyhexyl)decane-1,10-diamine
PubChem CID19938811
Molecular FormulaC34H72N2O
Molecular Weight524.96 g/mol
Exact Mass524.56
IUPAC NameN'-(6-octadecoxyhexyl)decane-1,10-diamine
SMILESCCCCCCCCCCCCCCCCCCOCCCCCCNCCCCCCCCCCN
InChIInChI=1S/C34H72N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-23-28-33-37-34-29-24-22-27-32-36-31-26-21-18-15-14-17-20-25-30-35/h36H,2-35H2,1H3
InChIKeyHRZQKUSUVZGTAN-UHFFFAOYSA-N
XLogP10.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds34
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.96
LogP ≤ 510.49
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 N'-(6-octadecoxyhexyl)decane-1,10-diamine?
The IUPAC name of N'-(6-octadecoxyhexyl)decane-1,10-diamine (CID 19938811) is N'-(6-octadecoxyhexyl)decane-1,10-diamine.
What is the SMILES notation for N'-(6-octadecoxyhexyl)decane-1,10-diamine?
The canonical SMILES for N'-(6-octadecoxyhexyl)decane-1,10-diamine is CCCCCCCCCCCCCCCCCCOCCCCCCNCCCCCCCCCCN.
What is the InChIKey of N'-(6-octadecoxyhexyl)decane-1,10-diamine?
The InChIKey is HRZQKUSUVZGTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H72N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-23-28-33-37-34-29-24-22-27-32-36-31-26-21-18-15-14-17-20-25-30-35/h36H,2-35H2,1H3.
What are the key properties of N'-(6-octadecoxyhexyl)decane-1,10-diamine?
N'-(6-octadecoxyhexyl)decane-1,10-diamine has a molecular weight of 524.96 g/mol, XLogP of 10.49, 34 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-octadecoxyhexyl)decane-1,10-diamine is sourced from PubChem (CID 19938811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).