2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol

C11H23NO3 — CID 81101798

IUPAC2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCC1CCOCO1
InChIInChI=1S/C11H23NO3/c1-9(2)5-10(7-13)12-6-11-3-4-14-8-15-11/h9-13H,3-8H2,1-2H3
InChIKeyROIHZMLETJHDTG-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.75
Rot. Bonds6

About 2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol

2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol (PubChem CID 81101798) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol
PubChem CID81101798
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCC1CCOCO1
InChIInChI=1S/C11H23NO3/c1-9(2)5-10(7-13)12-6-11-3-4-14-8-15-11/h9-13H,3-8H2,1-2H3
InChIKeyROIHZMLETJHDTG-UHFFFAOYSA-N
XLogP0.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol?
The IUPAC name of 2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol (CID 81101798) is 2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol?
The canonical SMILES for 2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol is CC(C)CC(CO)NCC1CCOCO1.
What is the InChIKey of 2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol?
The InChIKey is ROIHZMLETJHDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)5-10(7-13)12-6-11-3-4-14-8-15-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol?
2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 81101798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).