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

C11H19N3O2 — CID 103030583

IUPAC1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)C1COCCO1
InChIInChI=1S/C11H19N3O2/c1-14-9(4-5-13-14)2-3-10(12)11-8-15-6-7-16-11/h4-5,10-11H,2-3,6-8,12H2,1H3
InChIKeyKNXOVXIQJHTFTK-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.10
Rot. Bonds4

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

1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030583) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030583
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)C1COCCO1
InChIInChI=1S/C11H19N3O2/c1-14-9(4-5-13-14)2-3-10(12)11-8-15-6-7-16-11/h4-5,10-11H,2-3,6-8,12H2,1H3
InChIKeyKNXOVXIQJHTFTK-UHFFFAOYSA-N
XLogP0.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030583) is 1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine is Cn1nccc1CCC(N)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is KNXOVXIQJHTFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-14-9(4-5-13-14)2-3-10(12)11-8-15-6-7-16-11/h4-5,10-11H,2-3,6-8,12H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).