6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine

C13H27NO2 — CID 105044424

IUPAC6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine
SMILESCOCCC(C)C(N)CCC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-11(8-10-15-2)13(14)7-6-12-5-3-4-9-16-12/h11-13H,3-10,14H2,1-2H3
InChIKeyRMRNGQBLMHSJMH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.34
Rot. Bonds7

About 6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine

6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine (PubChem CID 105044424) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine
PubChem CID105044424
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine
SMILESCOCCC(C)C(N)CCC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-11(8-10-15-2)13(14)7-6-12-5-3-4-9-16-12/h11-13H,3-10,14H2,1-2H3
InChIKeyRMRNGQBLMHSJMH-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629
[6-methoxy-4-methyl-1-(oxolan-2-yl)hexan-3-yl]hydrazine
CID 105337960
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
1-cyclohexyl-1-methoxy-4-(oxolan-2-yl)butan-2-amine
CID 116771262
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
[4-methoxy-2-methyl-1-(oxan-2-yl)butyl]hydrazine
CID 105337937
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
CID 115849890
1-(oxan-2-yl)nonan-3-amine
CID 115833397

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine?
The IUPAC name of 6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine (CID 105044424) is 6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine.
What is the SMILES notation for 6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine?
The canonical SMILES for 6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine is COCCC(C)C(N)CCC1CCCCO1.
What is the InChIKey of 6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine?
The InChIKey is RMRNGQBLMHSJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(8-10-15-2)13(14)7-6-12-5-3-4-9-16-12/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine?
6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine has a molecular weight of 229.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-1-(oxan-2-yl)hexan-3-amine is sourced from PubChem (CID 105044424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).