3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide

C10H20N2O3 — CID 104580423

IUPAC3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC1CCOCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,5-9(11)13)12-6-8-3-4-14-7-15-8/h8,12H,3-7H2,1-2H3,(H2,11,13)
InChIKeySZXHTZKFLXQSTH-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.01
Rot. Bonds5

About 3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide

3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide (PubChem CID 104580423) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide
PubChem CID104580423
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC1CCOCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,5-9(11)13)12-6-8-3-4-14-7-15-8/h8,12H,3-7H2,1-2H3,(H2,11,13)
InChIKeySZXHTZKFLXQSTH-UHFFFAOYSA-N
XLogP-0.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide?
The IUPAC name of 3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide (CID 104580423) is 3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide.
What is the SMILES notation for 3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide?
The canonical SMILES for 3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide is CC(C)(CC(N)=O)NCC1CCOCO1.
What is the InChIKey of 3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide?
The InChIKey is SZXHTZKFLXQSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,5-9(11)13)12-6-8-3-4-14-7-15-8/h8,12H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide?
3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide has a molecular weight of 216.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide is sourced from PubChem (CID 104580423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).