2-ethoxy-6-methoxy-N-propylhexan-3-amine

C12H27NO2 — CID 115640781

IUPAC2-ethoxy-6-methoxy-N-propylhexan-3-amine
SMILESCCCNC(CCCOC)C(C)OCC
InChIInChI=1S/C12H27NO2/c1-5-9-13-12(8-7-10-14-4)11(3)15-6-2/h11-13H,5-10H2,1-4H3
InChIKeyVONRGLOQEGLSNL-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds10

About 2-ethoxy-6-methoxy-N-propylhexan-3-amine

2-ethoxy-6-methoxy-N-propylhexan-3-amine (PubChem CID 115640781) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-ethoxy-6-methoxy-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-ethoxy-6-methoxy-N-propylhexan-3-amine
PubChem CID115640781
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-ethoxy-6-methoxy-N-propylhexan-3-amine
SMILESCCCNC(CCCOC)C(C)OCC
InChIInChI=1S/C12H27NO2/c1-5-9-13-12(8-7-10-14-4)11(3)15-6-2/h11-13H,5-10H2,1-4H3
InChIKeyVONRGLOQEGLSNL-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-ethoxy-6-methoxy-N-propylhexan-3-amine?
The IUPAC name of 2-ethoxy-6-methoxy-N-propylhexan-3-amine (CID 115640781) is 2-ethoxy-6-methoxy-N-propylhexan-3-amine.
What is the SMILES notation for 2-ethoxy-6-methoxy-N-propylhexan-3-amine?
The canonical SMILES for 2-ethoxy-6-methoxy-N-propylhexan-3-amine is CCCNC(CCCOC)C(C)OCC.
What is the InChIKey of 2-ethoxy-6-methoxy-N-propylhexan-3-amine?
The InChIKey is VONRGLOQEGLSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-9-13-12(8-7-10-14-4)11(3)15-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-ethoxy-6-methoxy-N-propylhexan-3-amine?
2-ethoxy-6-methoxy-N-propylhexan-3-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methoxy-N-propylhexan-3-amine is sourced from PubChem (CID 115640781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).