1-(1,3-dioxolan-4-yl)propan-2-amine

C6H13NO2 — CID 171855173

IUPAC1-(1,3-dioxolan-4-yl)propan-2-amine
SMILESCC(N)CC1COCO1
InChIInChI=1S/C6H13NO2/c1-5(7)2-6-3-8-4-9-6/h5-6H,2-4,7H2,1H3
InChIKeyNQUCLOLQGFZIQU-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.10
Rot. Bonds2

About 1-(1,3-dioxolan-4-yl)propan-2-amine

1-(1,3-dioxolan-4-yl)propan-2-amine (PubChem CID 171855173) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(1,3-dioxolan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-4-yl)propan-2-amine
PubChem CID171855173
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name1-(1,3-dioxolan-4-yl)propan-2-amine
SMILESCC(N)CC1COCO1
InChIInChI=1S/C6H13NO2/c1-5(7)2-6-3-8-4-9-6/h5-6H,2-4,7H2,1H3
InChIKeyNQUCLOLQGFZIQU-UHFFFAOYSA-N
XLogP0.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-4-yl)propan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-4-yl)propan-2-amine (CID 171855173) is 1-(1,3-dioxolan-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-4-yl)propan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-4-yl)propan-2-amine is CC(N)CC1COCO1.
What is the InChIKey of 1-(1,3-dioxolan-4-yl)propan-2-amine?
The InChIKey is NQUCLOLQGFZIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(7)2-6-3-8-4-9-6/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-(1,3-dioxolan-4-yl)propan-2-amine?
1-(1,3-dioxolan-4-yl)propan-2-amine has a molecular weight of 131.18 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-4-yl)propan-2-amine is sourced from PubChem (CID 171855173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).