6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine

C19H42N2O — CID 91518141

IUPAC6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine
SMILESCCCCC(C)CC(C)CC(C)COCCCC(N)CCN
InChIInChI=1S/C19H42N2O/c1-5-6-8-16(2)13-17(3)14-18(4)15-22-12-7-9-19(21)10-11-20/h16-19H,5-15,20-21H2,1-4H3
InChIKeyOKVYMOYFRIFAOQ-UHFFFAOYSA-N
MW314.56 g/mol
LogP4.34
Rot. Bonds15

About 6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine

6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine (PubChem CID 91518141) has the molecular formula C19H42N2O and a molecular weight of 314.56 g/mol. Its IUPAC name is 6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine.

Molecular Properties

Compound Name6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine
PubChem CID91518141
Molecular FormulaC19H42N2O
Molecular Weight314.56 g/mol
Exact Mass314.33
IUPAC Name6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine
SMILESCCCCC(C)CC(C)CC(C)COCCCC(N)CCN
InChIInChI=1S/C19H42N2O/c1-5-6-8-16(2)13-17(3)14-18(4)15-22-12-7-9-19(21)10-11-20/h16-19H,5-15,20-21H2,1-4H3
InChIKeyOKVYMOYFRIFAOQ-UHFFFAOYSA-N
XLogP4.34
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 54.34
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-(2,4,6-trimethyldecoxy)hexane-1,3-diamine?
The IUPAC name of 6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine (CID 91518141) is 6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine.
What is the SMILES notation for 6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine?
The canonical SMILES for 6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine is CCCCC(C)CC(C)CC(C)COCCCC(N)CCN.
What is the InChIKey of 6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine?
The InChIKey is OKVYMOYFRIFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O/c1-5-6-8-16(2)13-17(3)14-18(4)15-22-12-7-9-19(21)10-11-20/h16-19H,5-15,20-21H2,1-4H3.
What are the key properties of 6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine?
6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine has a molecular weight of 314.56 g/mol, XLogP of 4.34, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,6-trimethyldecoxy)hexane-1,3-diamine is sourced from PubChem (CID 91518141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).