1-methoxy-3,6-dimethyloctan-4-amine

C11H25NO — CID 105044592

IUPAC1-methoxy-3,6-dimethyloctan-4-amine
SMILESCCC(C)CC(N)C(C)CCOC
InChIInChI=1S/C11H25NO/c1-5-9(2)8-11(12)10(3)6-7-13-4/h9-11H,5-8,12H2,1-4H3
InChIKeyMVWYIIKOXAAETL-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.42
Rot. Bonds7

About 1-methoxy-3,6-dimethyloctan-4-amine

1-methoxy-3,6-dimethyloctan-4-amine (PubChem CID 105044592) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-methoxy-3,6-dimethyloctan-4-amine.

Molecular Properties

Compound Name1-methoxy-3,6-dimethyloctan-4-amine
PubChem CID105044592
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1-methoxy-3,6-dimethyloctan-4-amine
SMILESCCC(C)CC(N)C(C)CCOC
InChIInChI=1S/C11H25NO/c1-5-9(2)8-11(12)10(3)6-7-13-4/h9-11H,5-8,12H2,1-4H3
InChIKeyMVWYIIKOXAAETL-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N,3,6-trimethyloctan-4-amine
CID 105044439
8-methoxy-4-methyloctan-3-amine
CID 104648383
7-ethoxy-1-methoxy-3-methylheptan-4-amine
CID 105185117
1,5-dimethoxy-3-methylheptan-4-amine
CID 116715297
5-ethyl-1-methoxy-2-methylheptan-4-amine
CID 105168463
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
1-methoxy-3-methylhexan-2-amine
CID 105008836
3-ethyl-5-methoxypentan-2-amine
CID 61000817
(4S)-2,5-dimethylheptan-4-amine
CID 145304890
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,6-dimethyloctan-4-amine?
The IUPAC name of 1-methoxy-3,6-dimethyloctan-4-amine (CID 105044592) is 1-methoxy-3,6-dimethyloctan-4-amine.
What is the SMILES notation for 1-methoxy-3,6-dimethyloctan-4-amine?
The canonical SMILES for 1-methoxy-3,6-dimethyloctan-4-amine is CCC(C)CC(N)C(C)CCOC.
What is the InChIKey of 1-methoxy-3,6-dimethyloctan-4-amine?
The InChIKey is MVWYIIKOXAAETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-9(2)8-11(12)10(3)6-7-13-4/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 1-methoxy-3,6-dimethyloctan-4-amine?
1-methoxy-3,6-dimethyloctan-4-amine has a molecular weight of 187.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,6-dimethyloctan-4-amine is sourced from PubChem (CID 105044592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).