2-methoxy-N,2,7-trimethyloctan-4-amine

C12H27NO — CID 103025053

IUPAC2-methoxy-N,2,7-trimethyloctan-4-amine
SMILESCNC(CCC(C)C)CC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-10(2)7-8-11(13-5)9-12(3,4)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyPUHQMMAZPYLRJY-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds7

About 2-methoxy-N,2,7-trimethyloctan-4-amine

2-methoxy-N,2,7-trimethyloctan-4-amine (PubChem CID 103025053) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-methoxy-N,2,7-trimethyloctan-4-amine.

Molecular Properties

Compound Name2-methoxy-N,2,7-trimethyloctan-4-amine
PubChem CID103025053
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-methoxy-N,2,7-trimethyloctan-4-amine
SMILESCNC(CCC(C)C)CC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-10(2)7-8-11(13-5)9-12(3,4)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyPUHQMMAZPYLRJY-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2,7-trimethyloctan-4-amine?
The IUPAC name of 2-methoxy-N,2,7-trimethyloctan-4-amine (CID 103025053) is 2-methoxy-N,2,7-trimethyloctan-4-amine.
What is the SMILES notation for 2-methoxy-N,2,7-trimethyloctan-4-amine?
The canonical SMILES for 2-methoxy-N,2,7-trimethyloctan-4-amine is CNC(CCC(C)C)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-N,2,7-trimethyloctan-4-amine?
The InChIKey is PUHQMMAZPYLRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)7-8-11(13-5)9-12(3,4)14-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 2-methoxy-N,2,7-trimethyloctan-4-amine?
2-methoxy-N,2,7-trimethyloctan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2,7-trimethyloctan-4-amine is sourced from PubChem (CID 103025053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).