3,7-dimethoxy-N,7-dimethyloctan-4-amine

C12H27NO2 — CID 103036055

IUPAC3,7-dimethoxy-N,7-dimethyloctan-4-amine
SMILESCCC(OC)C(CCC(C)(C)OC)NC
InChIInChI=1S/C12H27NO2/c1-7-11(14-5)10(13-4)8-9-12(2,3)15-6/h10-11,13H,7-9H2,1-6H3
InChIKeyQVBZTCJPNRLASX-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.20
Rot. Bonds8

About 3,7-dimethoxy-N,7-dimethyloctan-4-amine

3,7-dimethoxy-N,7-dimethyloctan-4-amine (PubChem CID 103036055) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3,7-dimethoxy-N,7-dimethyloctan-4-amine.

Molecular Properties

Compound Name3,7-dimethoxy-N,7-dimethyloctan-4-amine
PubChem CID103036055
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3,7-dimethoxy-N,7-dimethyloctan-4-amine
SMILESCCC(OC)C(CCC(C)(C)OC)NC
InChIInChI=1S/C12H27NO2/c1-7-11(14-5)10(13-4)8-9-12(2,3)15-6/h10-11,13H,7-9H2,1-6H3
InChIKeyQVBZTCJPNRLASX-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 3,7-dimethoxy-N,7-dimethyloctan-4-amine?
The IUPAC name of 3,7-dimethoxy-N,7-dimethyloctan-4-amine (CID 103036055) is 3,7-dimethoxy-N,7-dimethyloctan-4-amine.
What is the SMILES notation for 3,7-dimethoxy-N,7-dimethyloctan-4-amine?
The canonical SMILES for 3,7-dimethoxy-N,7-dimethyloctan-4-amine is CCC(OC)C(CCC(C)(C)OC)NC.
What is the InChIKey of 3,7-dimethoxy-N,7-dimethyloctan-4-amine?
The InChIKey is QVBZTCJPNRLASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-7-11(14-5)10(13-4)8-9-12(2,3)15-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 3,7-dimethoxy-N,7-dimethyloctan-4-amine?
3,7-dimethoxy-N,7-dimethyloctan-4-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 3,7-dimethoxy-N,7-dimethyloctan-4-amine is sourced from PubChem (CID 103036055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).