[7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate

C14H30N2O3 — CID 20704262

IUPAC[7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate
SMILESCOCN(C)CCCCCCCN(C)COC(C)=O
InChIInChI=1S/C14H30N2O3/c1-14(17)19-13-16(3)11-9-7-5-6-8-10-15(2)12-18-4/h5-13H2,1-4H3
InChIKeyDVDQRRHYZONHTH-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.92
Rot. Bonds12

About [7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate

[7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate (PubChem CID 20704262) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is [7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate.

Molecular Properties

Compound Name[7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate
PubChem CID20704262
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name[7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate
SMILESCOCN(C)CCCCCCCN(C)COC(C)=O
InChIInChI=1S/C14H30N2O3/c1-14(17)19-13-16(3)11-9-7-5-6-8-10-15(2)12-18-4/h5-13H2,1-4H3
InChIKeyDVDQRRHYZONHTH-UHFFFAOYSA-N
XLogP1.92
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of [7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate?
The IUPAC name of [7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate (CID 20704262) is [7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate.
What is the SMILES notation for [7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate?
The canonical SMILES for [7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate is COCN(C)CCCCCCCN(C)COC(C)=O.
What is the InChIKey of [7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate?
The InChIKey is DVDQRRHYZONHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-14(17)19-13-16(3)11-9-7-5-6-8-10-15(2)12-18-4/h5-13H2,1-4H3.
What are the key properties of [7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate?
[7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate has a molecular weight of 274.40 g/mol, XLogP of 1.92, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[methoxymethyl(methyl)amino]heptyl-methylamino]methyl acetate is sourced from PubChem (CID 20704262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).