3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine

C15H33NO3 — CID 177091080

IUPAC3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine
SMILESCOCCOC(CCN)C(C)CC(C)OCC(C)C
InChIInChI=1S/C15H33NO3/c1-12(2)11-19-14(4)10-13(3)15(6-7-16)18-9-8-17-5/h12-15H,6-11,16H2,1-5H3
InChIKeyHSPIUMYBYPOEAL-UHFFFAOYSA-N
MW275.43 g/mol
LogP2.45
Rot. Bonds12

About 3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine

3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine (PubChem CID 177091080) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine
PubChem CID177091080
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine
SMILESCOCCOC(CCN)C(C)CC(C)OCC(C)C
InChIInChI=1S/C15H33NO3/c1-12(2)11-19-14(4)10-13(3)15(6-7-16)18-9-8-17-5/h12-15H,6-11,16H2,1-5H3
InChIKeyHSPIUMYBYPOEAL-UHFFFAOYSA-N
XLogP2.45
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine (CID 177091080) is 3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine is COCCOC(CCN)C(C)CC(C)OCC(C)C.
What is the InChIKey of 3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine?
The InChIKey is HSPIUMYBYPOEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-12(2)11-19-14(4)10-13(3)15(6-7-16)18-9-8-17-5/h12-15H,6-11,16H2,1-5H3.
What are the key properties of 3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine?
3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine has a molecular weight of 275.43 g/mol, XLogP of 2.45, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-4-methyl-6-(2-methylpropoxy)heptan-1-amine is sourced from PubChem (CID 177091080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).