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'}

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Related Compounds

4-(8-Methylnonoxy)hexane-1,3-diamine
CID 18770005
2-(Dodecoxymethyl)pentane-1,5-diamine
CID 20137431
10-Methyl-1-(oxolan-2-yl)undecane-1,11-diamine
CID 20405360
6-(8-Methylnonoxy)hexane-2,3-diamine
CID 21183268
4-(2-Tetradecoxyethyl)hexadecane-1,3-diamine
CID 21219926
6-(8-Methylnonoxy)hexane-1,3-diamine
CID 21871800
6-(10-Methylundecoxy)hexane-1,3-diamine
CID 21871801
6-(11-Methyldodecoxy)hexane-1,3-diamine
CID 21871803
6-(2-Tetradecyloctadecoxy)hexane-2,3-diamine
CID 53941526
6-Pentadecoxyhexane-2,3-diamine
CID 54114272
6-Tridecoxyhexane-2,3-diamine
CID 54350380
6-(2-Tetradecyloctadecoxy)hexane-1,3-diamine
CID 57150964

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).