6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine

C11H25NO3 — CID 102927934

IUPAC6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine
SMILESCOCCOCCC(N)C(C)CCOC
InChIInChI=1S/C11H25NO3/c1-10(4-6-13-2)11(12)5-7-15-9-8-14-3/h10-11H,4-9,12H2,1-3H3
InChIKeyQRNYVYGZHWXQSU-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.04
Rot. Bonds10

About 6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine

6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine (PubChem CID 102927934) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine.

Molecular Properties

Compound Name6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine
PubChem CID102927934
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine
SMILESCOCCOCCC(N)C(C)CCOC
InChIInChI=1S/C11H25NO3/c1-10(4-6-13-2)11(12)5-7-15-9-8-14-3/h10-11H,4-9,12H2,1-3H3
InChIKeyQRNYVYGZHWXQSU-UHFFFAOYSA-N
XLogP1.04
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine?
The IUPAC name of 6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine (CID 102927934) is 6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine.
What is the SMILES notation for 6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine?
The canonical SMILES for 6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine is COCCOCCC(N)C(C)CCOC.
What is the InChIKey of 6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine?
The InChIKey is QRNYVYGZHWXQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-10(4-6-13-2)11(12)5-7-15-9-8-14-3/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine?
6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine has a molecular weight of 219.32 g/mol, XLogP of 1.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-methoxyethoxy)-4-methylhexan-3-amine is sourced from PubChem (CID 102927934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).