2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide

C10H20N2O3 — CID 103914239

IUPAC2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide
SMILESCC(C)C(NCC1CCOCO1)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-7(2)9(10(11)13)12-5-8-3-4-14-6-15-8/h7-9,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyMBNNEISWHHBTNO-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.15
Rot. Bonds5

About 2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide

2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide (PubChem CID 103914239) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide
PubChem CID103914239
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide
SMILESCC(C)C(NCC1CCOCO1)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-7(2)9(10(11)13)12-5-8-3-4-14-6-15-8/h7-9,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyMBNNEISWHHBTNO-UHFFFAOYSA-N
XLogP-0.15
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 ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
CID 43386449
2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol
CID 81101798
N-(1,3-dioxan-4-ylmethyl)-1-methoxybutan-2-amine
CID 81100857
1-cyclohexyl-N-(1,3-dioxan-4-ylmethyl)propan-1-amine
CID 81102685
3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 103707651
1-(2,5-dimethylthiophen-3-yl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81102302
N-(1,3-dioxan-4-ylmethyl)-1-(4-fluorophenyl)ethanamine
CID 81102301
2-(1,3-dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 81101804
3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 61313229
(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81376970

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide?
The IUPAC name of 2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide (CID 103914239) is 2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide.
What is the SMILES notation for 2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide?
The canonical SMILES for 2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide is CC(C)C(NCC1CCOCO1)C(N)=O.
What is the InChIKey of 2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide?
The InChIKey is MBNNEISWHHBTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)9(10(11)13)12-5-8-3-4-14-6-15-8/h7-9,12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide?
2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide has a molecular weight of 216.28 g/mol, XLogP of -0.15, 5 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)-3-methylbutanamide is sourced from PubChem (CID 103914239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).