2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol

C15H33NO2 — CID 138567102

IUPAC2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol
SMILESCNC(CO)COC(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33NO2/c1-13(2,3)11-15(7,14(4,5)6)18-10-12(9-17)16-8/h12,16-17H,9-11H2,1-8H3
InChIKeyDUZULIRBOQWNKC-UHFFFAOYSA-N
MW259.43 g/mol
LogP2.82
Rot. Bonds6

About 2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol

2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol (PubChem CID 138567102) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol
PubChem CID138567102
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol
SMILESCNC(CO)COC(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33NO2/c1-13(2,3)11-15(7,14(4,5)6)18-10-12(9-17)16-8/h12,16-17H,9-11H2,1-8H3
InChIKeyDUZULIRBOQWNKC-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol?
The IUPAC name of 2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol (CID 138567102) is 2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol?
The canonical SMILES for 2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol is CNC(CO)COC(C)(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol?
The InChIKey is DUZULIRBOQWNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-13(2,3)11-15(7,14(4,5)6)18-10-12(9-17)16-8/h12,16-17H,9-11H2,1-8H3.
What are the key properties of 2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol?
2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol has a molecular weight of 259.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(2,2,3,5,5-pentamethylhexan-3-yloxy)propan-1-ol is sourced from PubChem (CID 138567102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).