2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine

C12H27NO2 — CID 103035680

IUPAC2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine
SMILESCCOC(C)C(CCC(C)(C)OC)NC
InChIInChI=1S/C12H27NO2/c1-7-15-10(2)11(13-5)8-9-12(3,4)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyJEXNHGQTRHAGPB-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.20
Rot. Bonds8

About 2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine

2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine (PubChem CID 103035680) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine.

Molecular Properties

Compound Name2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine
PubChem CID103035680
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine
SMILESCCOC(C)C(CCC(C)(C)OC)NC
InChIInChI=1S/C12H27NO2/c1-7-15-10(2)11(13-5)8-9-12(3,4)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyJEXNHGQTRHAGPB-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine?
The IUPAC name of 2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine (CID 103035680) is 2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine.
What is the SMILES notation for 2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine?
The canonical SMILES for 2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine is CCOC(C)C(CCC(C)(C)OC)NC.
What is the InChIKey of 2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine?
The InChIKey is JEXNHGQTRHAGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-7-15-10(2)11(13-5)8-9-12(3,4)14-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine?
2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine has a molecular weight of 217.35 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine is sourced from PubChem (CID 103035680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).