6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol

C12H27NO2 — CID 116500207

IUPAC6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol
SMILESCCCNCCC(C)(O)C(C)CCOC
InChIInChI=1S/C12H27NO2/c1-5-8-13-9-7-12(3,14)11(2)6-10-15-4/h11,13-14H,5-10H2,1-4H3
InChIKeyGEGNXDIIROILIF-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds9

About 6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol

6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol (PubChem CID 116500207) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol.

Molecular Properties

Compound Name6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol
PubChem CID116500207
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol
SMILESCCCNCCC(C)(O)C(C)CCOC
InChIInChI=1S/C12H27NO2/c1-5-8-13-9-7-12(3,14)11(2)6-10-15-4/h11,13-14H,5-10H2,1-4H3
InChIKeyGEGNXDIIROILIF-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
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 6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol?
The IUPAC name of 6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol (CID 116500207) is 6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol.
What is the SMILES notation for 6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol?
The canonical SMILES for 6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol is CCCNCCC(C)(O)C(C)CCOC.
What is the InChIKey of 6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol?
The InChIKey is GEGNXDIIROILIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-8-13-9-7-12(3,14)11(2)6-10-15-4/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol?
6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol is sourced from PubChem (CID 116500207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).