4-methoxy-5,6-dimethyloctan-3-amine

C11H25NO — CID 59957248

IUPAC4-methoxy-5,6-dimethyloctan-3-amine
SMILESCCC(C)C(C)C(OC)C(N)CC
InChIInChI=1S/C11H25NO/c1-6-8(3)9(4)11(13-5)10(12)7-2/h8-11H,6-7,12H2,1-5H3
InChIKeyAMRNUPBBDCWGHI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.42
Rot. Bonds6

About 4-methoxy-5,6-dimethyloctan-3-amine

4-methoxy-5,6-dimethyloctan-3-amine (PubChem CID 59957248) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-methoxy-5,6-dimethyloctan-3-amine.

Molecular Properties

Compound Name4-methoxy-5,6-dimethyloctan-3-amine
PubChem CID59957248
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-methoxy-5,6-dimethyloctan-3-amine
SMILESCCC(C)C(C)C(OC)C(N)CC
InChIInChI=1S/C11H25NO/c1-6-8(3)9(4)11(13-5)10(12)7-2/h8-11H,6-7,12H2,1-5H3
InChIKeyAMRNUPBBDCWGHI-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

8,8,8-Trifluoro-3-methoxy-2-methyloctan-4-amine
CID 116719731
Cyclohexaneethanamine, I(2)-methoxy-I+/--nonyl-
CID 116771184
6-Ethyl-2,4,5-trimethyloxan-3-amine
CID 18739422
3-Amino-5,6-dimethyloctan-4-ol
CID 20658862
2-Ethoxy-3,4-dimethylhexan-1-amine
CID 22751777
(3S,4S,6S)-3-amino-6-methyloctan-4-ol
CID 53885637
1-Cyclohexyl-1-methoxypropan-2-amine
CID 54290070
(5S,6S)-6-amino-2,3,8-trimethylnonan-5-ol
CID 57116135
2-Ethyl-1-(oxiran-2-yl)hexan-1-amine
CID 57166499
(3R,4S,5S,6R)-6-ethyl-2,4,5-trimethyloxan-3-amine
CID 57554601
2-Butan-2-yl-4,5-dimethyloxolan-3-amine
CID 59025329
(4S,6R)-3-amino-6-methyloctan-4-ol
CID 59132362

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6-dimethyloctan-3-amine?
The IUPAC name of 4-methoxy-5,6-dimethyloctan-3-amine (CID 59957248) is 4-methoxy-5,6-dimethyloctan-3-amine.
What is the SMILES notation for 4-methoxy-5,6-dimethyloctan-3-amine?
The canonical SMILES for 4-methoxy-5,6-dimethyloctan-3-amine is CCC(C)C(C)C(OC)C(N)CC.
What is the InChIKey of 4-methoxy-5,6-dimethyloctan-3-amine?
The InChIKey is AMRNUPBBDCWGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-8(3)9(4)11(13-5)10(12)7-2/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 4-methoxy-5,6-dimethyloctan-3-amine?
4-methoxy-5,6-dimethyloctan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,6-dimethyloctan-3-amine is sourced from PubChem (CID 59957248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).