1-(1,3-dioxan-2-yl)propan-2-amine

C7H15NO2 — CID 82111184

IUPAC1-(1,3-dioxan-2-yl)propan-2-amine
SMILESCC(N)CC1OCCCO1
InChIInChI=1S/C7H15NO2/c1-6(8)5-7-9-3-2-4-10-7/h6-7H,2-5,8H2,1H3
InChIKeyDSFVDMZKUDDICF-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.49
Rot. Bonds2

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

1-(1,3-dioxan-2-yl)propan-2-amine (PubChem CID 82111184) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-(1,3-dioxan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxan-2-yl)propan-2-amine
PubChem CID82111184
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-(1,3-dioxan-2-yl)propan-2-amine
SMILESCC(N)CC1OCCCO1
InChIInChI=1S/C7H15NO2/c1-6(8)5-7-9-3-2-4-10-7/h6-7H,2-5,8H2,1H3
InChIKeyDSFVDMZKUDDICF-UHFFFAOYSA-N
XLogP0.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-dioxan-2-yl)propan-2-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

(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
CID 14290520
2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane
CID 157085874
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
1-(1,3-dioxan-2-yl)butan-2-ol
CID 130148324
1-(oxetan-2-yl)propan-2-amine
CID 84647721
4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine
CID 70442959
1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine
CID 70217294
(3R,4S)-7-(1,3-dioxan-2-yl)-6-methylhept-1-ene-3,4-diol
CID 101487132
1-cyclobutyl-2-(1,3-dioxolan-2-yl)ethanamine
CID 103544185
4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine
CID 70443822
1-cyclopentyl-2-(1,3-dioxolan-2-yl)ethanamine
CID 103543892
(E,3R,4S)-1-(1,3-dioxan-2-yl)-4-methyl-7-trimethylsilylhept-5-en-3-amine
CID 71473120

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-2-yl)propan-2-amine?
The IUPAC name of 1-(1,3-dioxan-2-yl)propan-2-amine (CID 82111184) is 1-(1,3-dioxan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(1,3-dioxan-2-yl)propan-2-amine?
The canonical SMILES for 1-(1,3-dioxan-2-yl)propan-2-amine is CC(N)CC1OCCCO1.
What is the InChIKey of 1-(1,3-dioxan-2-yl)propan-2-amine?
The InChIKey is DSFVDMZKUDDICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(8)5-7-9-3-2-4-10-7/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-(1,3-dioxan-2-yl)propan-2-amine?
1-(1,3-dioxan-2-yl)propan-2-amine has a molecular weight of 145.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-2-yl)propan-2-amine is sourced from PubChem (CID 82111184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).