2,6-dimethoxy-N,6-dimethylheptan-3-amine

C11H25NO2 — CID 103031620

IUPAC2,6-dimethoxy-N,6-dimethylheptan-3-amine
SMILESCNC(CCC(C)(C)OC)C(C)OC
InChIInChI=1S/C11H25NO2/c1-9(13-5)10(12-4)7-8-11(2,3)14-6/h9-10,12H,7-8H2,1-6H3
InChIKeyKJOKSILSQBEHGT-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.81
Rot. Bonds7

About 2,6-dimethoxy-N,6-dimethylheptan-3-amine

2,6-dimethoxy-N,6-dimethylheptan-3-amine (PubChem CID 103031620) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2,6-dimethoxy-N,6-dimethylheptan-3-amine.

Molecular Properties

Compound Name2,6-dimethoxy-N,6-dimethylheptan-3-amine
PubChem CID103031620
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2,6-dimethoxy-N,6-dimethylheptan-3-amine
SMILESCNC(CCC(C)(C)OC)C(C)OC
InChIInChI=1S/C11H25NO2/c1-9(13-5)10(12-4)7-8-11(2,3)14-6/h9-10,12H,7-8H2,1-6H3
InChIKeyKJOKSILSQBEHGT-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N,6-dimethylheptan-3-amine?
The IUPAC name of 2,6-dimethoxy-N,6-dimethylheptan-3-amine (CID 103031620) is 2,6-dimethoxy-N,6-dimethylheptan-3-amine.
What is the SMILES notation for 2,6-dimethoxy-N,6-dimethylheptan-3-amine?
The canonical SMILES for 2,6-dimethoxy-N,6-dimethylheptan-3-amine is CNC(CCC(C)(C)OC)C(C)OC.
What is the InChIKey of 2,6-dimethoxy-N,6-dimethylheptan-3-amine?
The InChIKey is KJOKSILSQBEHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(13-5)10(12-4)7-8-11(2,3)14-6/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 2,6-dimethoxy-N,6-dimethylheptan-3-amine?
2,6-dimethoxy-N,6-dimethylheptan-3-amine has a molecular weight of 203.33 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N,6-dimethylheptan-3-amine is sourced from PubChem (CID 103031620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).