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

C7H15NO2 — CID 65351037

IUPAC1-(1,4-dioxan-2-yl)propan-1-amine
SMILESCCC(N)C1COCCO1
InChIInChI=1S/C7H15NO2/c1-2-6(8)7-5-9-3-4-10-7/h6-7H,2-5,8H2,1H3
InChIKeyRSPXUAINBXZBFJ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.14
Rot. Bonds2

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

1-(1,4-dioxan-2-yl)propan-1-amine (PubChem CID 65351037) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)propan-1-amine
PubChem CID65351037
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-(1,4-dioxan-2-yl)propan-1-amine
SMILESCCC(N)C1COCCO1
InChIInChI=1S/C7H15NO2/c1-2-6(8)7-5-9-3-4-10-7/h6-7H,2-5,8H2,1H3
InChIKeyRSPXUAINBXZBFJ-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)propan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)propan-1-amine (CID 65351037) is 1-(1,4-dioxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)propan-1-amine is CCC(N)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)propan-1-amine?
The InChIKey is RSPXUAINBXZBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-6(8)7-5-9-3-4-10-7/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)propan-1-amine?
1-(1,4-dioxan-2-yl)propan-1-amine has a molecular weight of 145.20 g/mol, XLogP of 0.14, 2 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)propan-1-amine is sourced from PubChem (CID 65351037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).