1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine

C12H25NO2 — CID 68856315

IUPAC1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(C(C)C)C(N)C1COCCO1
InChIInChI=1S/C12H25NO2/c1-8(2)11(9(3)4)12(13)10-7-14-5-6-15-10/h8-12H,5-7,13H2,1-4H3
InChIKeyWVRTZUPHWVMPDK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.66
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine

1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 68856315) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID68856315
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(C(C)C)C(N)C1COCCO1
InChIInChI=1S/C12H25NO2/c1-8(2)11(9(3)4)12(13)10-7-14-5-6-15-10/h8-12H,5-7,13H2,1-4H3
InChIKeyWVRTZUPHWVMPDK-UHFFFAOYSA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine 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

1-(1,4-dioxan-2-yl)ethanol
CID 57186415
1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine
CID 65351199
(2-chloro-4,5-dimethylphenyl)-(1,4-dioxan-2-yl)methanamine
CID 113319410
2-(1-isothiocyanatoethyl)-1,4-dioxane
CID 134523073
1-(1,4-dioxan-2-yl)propan-2-amine
CID 54484153
1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
CID 89159983
2-(1,4-dioxan-2-yl)-3-hydroxybutanoic acid
CID 91331906
oxirane;propan-2-amine
CID 163631422
1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65352255
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
1,4-dioxan-2-yl-(5-ethylfuran-2-yl)methanamine
CID 62804530
(2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane
CID 167458632

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 68856315) is 1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(C(C)C)C(N)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is WVRTZUPHWVMPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8(2)11(9(3)4)12(13)10-7-14-5-6-15-10/h8-12H,5-7,13H2,1-4H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 68856315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).