2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol

C10H21NO2 — CID 75525275

IUPAC2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol
SMILESCC(CO)NC1CC(C)OC(C)C1
InChIInChI=1S/C10H21NO2/c1-7(6-12)11-10-4-8(2)13-9(3)5-10/h7-12H,4-6H2,1-3H3
InChIKeyVKCKFUNRTDLFLI-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.91
Rot. Bonds3

About 2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol

2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol (PubChem CID 75525275) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol
PubChem CID75525275
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol
SMILESCC(CO)NC1CC(C)OC(C)C1
InChIInChI=1S/C10H21NO2/c1-7(6-12)11-10-4-8(2)13-9(3)5-10/h7-12H,4-6H2,1-3H3
InChIKeyVKCKFUNRTDLFLI-UHFFFAOYSA-N
XLogP0.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol (CID 75525275) is 2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol is CC(CO)NC1CC(C)OC(C)C1.
What is the InChIKey of 2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol?
The InChIKey is VKCKFUNRTDLFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(6-12)11-10-4-8(2)13-9(3)5-10/h7-12H,4-6H2,1-3H3.
What are the key properties of 2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol?
2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol is sourced from PubChem (CID 75525275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).