1-methoxy-N,2,6-trimethyloctan-4-amine

C12H27NO — CID 105138500

IUPAC1-methoxy-N,2,6-trimethyloctan-4-amine
SMILESCCC(C)CC(CC(C)COC)NC
InChIInChI=1S/C12H27NO/c1-6-10(2)7-12(13-4)8-11(3)9-14-5/h10-13H,6-9H2,1-5H3
InChIKeyPVIFLGPMINYDTJ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds8

About 1-methoxy-N,2,6-trimethyloctan-4-amine

1-methoxy-N,2,6-trimethyloctan-4-amine (PubChem CID 105138500) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-methoxy-N,2,6-trimethyloctan-4-amine.

Molecular Properties

Compound Name1-methoxy-N,2,6-trimethyloctan-4-amine
PubChem CID105138500
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-methoxy-N,2,6-trimethyloctan-4-amine
SMILESCCC(C)CC(CC(C)COC)NC
InChIInChI=1S/C12H27NO/c1-6-10(2)7-12(13-4)8-11(3)9-14-5/h10-13H,6-9H2,1-5H3
InChIKeyPVIFLGPMINYDTJ-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093
1-methoxy-N,2,7-trimethyloctan-4-amine
CID 105127267
7-methoxy-N,6-dimethylhept-1-en-4-amine
CID 105108659
1-methoxy-N,2,7-trimethyloct-7-en-4-amine
CID 105182739
methane;1-methoxy-2-methylbutane
CID 159281556
N,5-dimethyl-1-propoxyheptan-3-amine
CID 105138301
1-methoxy-2,4,5-trimethylheptane
CID 177138936
8,8,8-trifluoro-1-methoxy-N,2-dimethyloctan-4-amine
CID 105174487
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
6-methoxy-N,2,5-trimethylhex-1-en-3-amine
CID 105163815
1,2-dimethoxy-4-methylhexane
CID 123627097

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,2,6-trimethyloctan-4-amine?
The IUPAC name of 1-methoxy-N,2,6-trimethyloctan-4-amine (CID 105138500) is 1-methoxy-N,2,6-trimethyloctan-4-amine.
What is the SMILES notation for 1-methoxy-N,2,6-trimethyloctan-4-amine?
The canonical SMILES for 1-methoxy-N,2,6-trimethyloctan-4-amine is CCC(C)CC(CC(C)COC)NC.
What is the InChIKey of 1-methoxy-N,2,6-trimethyloctan-4-amine?
The InChIKey is PVIFLGPMINYDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-10(2)7-12(13-4)8-11(3)9-14-5/h10-13H,6-9H2,1-5H3.
What are the key properties of 1-methoxy-N,2,6-trimethyloctan-4-amine?
1-methoxy-N,2,6-trimethyloctan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,2,6-trimethyloctan-4-amine is sourced from PubChem (CID 105138500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).