8,8,8-triethoxyoctan-3-amine

C14H31NO3 — CID 162686266

IUPAC8,8,8-triethoxyoctan-3-amine
SMILESCCOC(CCCCC(N)CC)(OCC)OCC
InChIInChI=1S/C14H31NO3/c1-5-13(15)11-9-10-12-14(16-6-2,17-7-3)18-8-4/h13H,5-12,15H2,1-4H3
InChIKeyBMXKGLCUNHEXHI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.05
Rot. Bonds12

About 8,8,8-triethoxyoctan-3-amine

8,8,8-triethoxyoctan-3-amine (PubChem CID 162686266) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 8,8,8-triethoxyoctan-3-amine.

Molecular Properties

Compound Name8,8,8-triethoxyoctan-3-amine
PubChem CID162686266
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name8,8,8-triethoxyoctan-3-amine
SMILESCCOC(CCCCC(N)CC)(OCC)OCC
InChIInChI=1S/C14H31NO3/c1-5-13(15)11-9-10-12-14(16-6-2,17-7-3)18-8-4/h13H,5-12,15H2,1-4H3
InChIKeyBMXKGLCUNHEXHI-UHFFFAOYSA-N
XLogP3.05
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1,1,1-triethoxy-11-ethyltetradecane
CID 150375799
1-amino-10,10,10-triethoxydecane-3-thiol
CID 151796359
ruthenium;1,1,1-triethoxydecane
CID 157324278
CID 156790678
CID 156790678
10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186
tridecan-3-amine
CID 19435959
tritriactan-3-amine;hydrochloride
CID 173389490
tetradecane-3,11-diamine
CID 170279817
tetradecan-3-amine;hydrobromide
CID 173393490
10-methyl-10-methylphosphanyldodecan-3-amine
CID 88854422
2,7-diaminononan-1-ol
CID 141295191
1,1,1-triethoxy-10-(propyldisulfanyl)decane
CID 150716554

Frequently Asked Questions

What is the IUPAC name of 8,8,8-triethoxyoctan-3-amine?
The IUPAC name of 8,8,8-triethoxyoctan-3-amine (CID 162686266) is 8,8,8-triethoxyoctan-3-amine.
What is the SMILES notation for 8,8,8-triethoxyoctan-3-amine?
The canonical SMILES for 8,8,8-triethoxyoctan-3-amine is CCOC(CCCCC(N)CC)(OCC)OCC.
What is the InChIKey of 8,8,8-triethoxyoctan-3-amine?
The InChIKey is BMXKGLCUNHEXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-5-13(15)11-9-10-12-14(16-6-2,17-7-3)18-8-4/h13H,5-12,15H2,1-4H3.
What are the key properties of 8,8,8-triethoxyoctan-3-amine?
8,8,8-triethoxyoctan-3-amine has a molecular weight of 261.41 g/mol, XLogP of 3.05, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-triethoxyoctan-3-amine is sourced from PubChem (CID 162686266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).