10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine

C32H67NO6 — CID 150717186

IUPAC10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
SMILESCCOC(CCCCCCCCCNCCCCCCCCCC(OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C32H67NO6/c1-7-34-31(35-8-2,36-9-3)27-23-19-15-13-17-21-25-29-33-30-26-22-18-14-16-20-24-28-32(37-10-4,38-11-5)39-12-6/h33H,7-30H2,1-6H3
InChIKeyJPCUFBMKGIVLAV-UHFFFAOYSA-N
MW561.89 g/mol
LogP8.34
Rot. Bonds32

About 10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine

10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine (PubChem CID 150717186) has the molecular formula C32H67NO6 and a molecular weight of 561.89 g/mol. Its IUPAC name is 10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine.

Molecular Properties

Compound Name10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
PubChem CID150717186
Molecular FormulaC32H67NO6
Molecular Weight561.89 g/mol
Exact Mass561.50
IUPAC Name10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
SMILESCCOC(CCCCCCCCCNCCCCCCCCCC(OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C32H67NO6/c1-7-34-31(35-8-2,36-9-3)27-23-19-15-13-17-21-25-29-33-30-26-22-18-14-16-20-24-28-32(37-10-4,38-11-5)39-12-6/h33H,7-30H2,1-6H3
InChIKeyJPCUFBMKGIVLAV-UHFFFAOYSA-N
XLogP8.34
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.89
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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1,1,1-triethoxy-10-(propyldisulfanyl)decane
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4,4,4-triethoxybutan-1-ol;zirconium
CID 151616246
1,1,1-triethoxy-11-ethyltetradecane
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18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952

Frequently Asked Questions

What is the IUPAC name of 10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine?
The IUPAC name of 10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine (CID 150717186) is 10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine.
What is the SMILES notation for 10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine?
The canonical SMILES for 10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine is CCOC(CCCCCCCCCNCCCCCCCCCC(OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine?
The InChIKey is JPCUFBMKGIVLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67NO6/c1-7-34-31(35-8-2,36-9-3)27-23-19-15-13-17-21-25-29-33-30-26-22-18-14-16-20-24-28-32(37-10-4,38-11-5)39-12-6/h33H,7-30H2,1-6H3.
What are the key properties of 10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine?
10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine has a molecular weight of 561.89 g/mol, XLogP of 8.34, 32 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine is sourced from PubChem (CID 150717186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).