1,1,7,7-tetraethoxyheptan-4-amine

C15H33NO4 — CID 10469545

IUPAC1,1,7,7-tetraethoxyheptan-4-amine
SMILESCCOC(CCC(N)CCC(OCC)OCC)OCC
InChIInChI=1S/C15H33NO4/c1-5-17-14(18-6-2)11-9-13(16)10-12-15(19-7-3)20-8-4/h13-15H,5-12,16H2,1-4H3
InChIKeyNYOVWPOLFMTFBV-UHFFFAOYSA-N
MW291.43 g/mol
LogP2.67
Rot. Bonds14

About 1,1,7,7-tetraethoxyheptan-4-amine

1,1,7,7-tetraethoxyheptan-4-amine (PubChem CID 10469545) has the molecular formula C15H33NO4 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1,1,7,7-tetraethoxyheptan-4-amine.

Molecular Properties

Compound Name1,1,7,7-tetraethoxyheptan-4-amine
PubChem CID10469545
Molecular FormulaC15H33NO4
Molecular Weight291.43 g/mol
Exact Mass291.24
IUPAC Name1,1,7,7-tetraethoxyheptan-4-amine
SMILESCCOC(CCC(N)CCC(OCC)OCC)OCC
InChIInChI=1S/C15H33NO4/c1-5-17-14(18-6-2)11-9-13(16)10-12-15(19-7-3)20-8-4/h13-15H,5-12,16H2,1-4H3
InChIKeyNYOVWPOLFMTFBV-UHFFFAOYSA-N
XLogP2.67
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,7,7-tetraethoxyheptan-4-amine?
The IUPAC name of 1,1,7,7-tetraethoxyheptan-4-amine (CID 10469545) is 1,1,7,7-tetraethoxyheptan-4-amine.
What is the SMILES notation for 1,1,7,7-tetraethoxyheptan-4-amine?
The canonical SMILES for 1,1,7,7-tetraethoxyheptan-4-amine is CCOC(CCC(N)CCC(OCC)OCC)OCC.
What is the InChIKey of 1,1,7,7-tetraethoxyheptan-4-amine?
The InChIKey is NYOVWPOLFMTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO4/c1-5-17-14(18-6-2)11-9-13(16)10-12-15(19-7-3)20-8-4/h13-15H,5-12,16H2,1-4H3.
What are the key properties of 1,1,7,7-tetraethoxyheptan-4-amine?
1,1,7,7-tetraethoxyheptan-4-amine has a molecular weight of 291.43 g/mol, XLogP of 2.67, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,7,7-tetraethoxyheptan-4-amine is sourced from PubChem (CID 10469545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).