1-decoxydecane-1,1-diamine

C20H44N2O — CID 87410137

IUPAC1-decoxydecane-1,1-diamine
SMILESCCCCCCCCCCOC(N)(N)CCCCCCCCC
InChIInChI=1S/C20H44N2O/c1-3-5-7-9-11-13-15-17-19-23-20(21,22)18-16-14-12-10-8-6-4-2/h3-19,21-22H2,1-2H3
InChIKeyGYKBGGRTIRQVBR-UHFFFAOYSA-N
MW328.59 g/mol
LogP5.86
Rot. Bonds18

About 1-decoxydecane-1,1-diamine

1-decoxydecane-1,1-diamine (PubChem CID 87410137) has the molecular formula C20H44N2O and a molecular weight of 328.59 g/mol. Its IUPAC name is 1-decoxydecane-1,1-diamine.

Molecular Properties

Compound Name1-decoxydecane-1,1-diamine
PubChem CID87410137
Molecular FormulaC20H44N2O
Molecular Weight328.59 g/mol
Exact Mass328.35
IUPAC Name1-decoxydecane-1,1-diamine
SMILESCCCCCCCCCCOC(N)(N)CCCCCCCCC
InChIInChI=1S/C20H44N2O/c1-3-5-7-9-11-13-15-17-19-23-20(21,22)18-16-14-12-10-8-6-4-2/h3-19,21-22H2,1-2H3
InChIKeyGYKBGGRTIRQVBR-UHFFFAOYSA-N
XLogP5.86
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.59
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9-heptoxy-9-methylhenicosane
CID 91127088
10-decoxy-10-nonylnonadecane
CID 150430521
2-dodecoxy-2-methyltetradecane
CID 158074564
1,1-didodecoxy-2,2-dimethylhexane-1,6-diamine;hydrobromide
CID 174106439
1-butoxypropane-1,1-diamine
CID 87535027
4,4-dipentoxytridecane
CID 150402661
1-amino-2-ethyl-2-octadecoxyoctadecane-1,1-diol
CID 88619037
1-heptoxy-1-hexoxy-9-octylperoxy-1-pentoxynonane
CID 141003056
16-(10-fluorodecoxy)-16-methylhentriacontane
CID 139714709
5-methoxy-5-pentoxytetradecane
CID 161410500
1-[6-(10,10-dimethylundecoxy)undecan-6-yloxy]-10,10-dimethylundecane
CID 150886508
tetracosane-6,6-diamine
CID 154005419

Frequently Asked Questions

What is the IUPAC name of 1-decoxydecane-1,1-diamine?
The IUPAC name of 1-decoxydecane-1,1-diamine (CID 87410137) is 1-decoxydecane-1,1-diamine.
What is the SMILES notation for 1-decoxydecane-1,1-diamine?
The canonical SMILES for 1-decoxydecane-1,1-diamine is CCCCCCCCCCOC(N)(N)CCCCCCCCC.
What is the InChIKey of 1-decoxydecane-1,1-diamine?
The InChIKey is GYKBGGRTIRQVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O/c1-3-5-7-9-11-13-15-17-19-23-20(21,22)18-16-14-12-10-8-6-4-2/h3-19,21-22H2,1-2H3.
What are the key properties of 1-decoxydecane-1,1-diamine?
1-decoxydecane-1,1-diamine has a molecular weight of 328.59 g/mol, XLogP of 5.86, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxydecane-1,1-diamine is sourced from PubChem (CID 87410137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).