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

C7H15NO2 — CID 54105065

IUPAC3-(1,4-dioxan-2-yl)propan-1-amine
SMILESNCCCC1COCCO1
InChIInChI=1S/C7H15NO2/c8-3-1-2-7-6-9-4-5-10-7/h7H,1-6,8H2
InChIKeyNDEAEXPBRWMIBZ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.14
Rot. Bonds3

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

3-(1,4-dioxan-2-yl)propan-1-amine (PubChem CID 54105065) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,4-dioxan-2-yl)propan-1-amine
PubChem CID54105065
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(1,4-dioxan-2-yl)propan-1-amine
SMILESNCCCC1COCCO1
InChIInChI=1S/C7H15NO2/c8-3-1-2-7-6-9-4-5-10-7/h7H,1-6,8H2
InChIKeyNDEAEXPBRWMIBZ-UHFFFAOYSA-N
XLogP0.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 3-(1,4-dioxan-2-yl)propan-1-amine?
The IUPAC name of 3-(1,4-dioxan-2-yl)propan-1-amine (CID 54105065) is 3-(1,4-dioxan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1,4-dioxan-2-yl)propan-1-amine?
The canonical SMILES for 3-(1,4-dioxan-2-yl)propan-1-amine is NCCCC1COCCO1.
What is the InChIKey of 3-(1,4-dioxan-2-yl)propan-1-amine?
The InChIKey is NDEAEXPBRWMIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c8-3-1-2-7-6-9-4-5-10-7/h7H,1-6,8H2.
What are the key properties of 3-(1,4-dioxan-2-yl)propan-1-amine?
3-(1,4-dioxan-2-yl)propan-1-amine has a molecular weight of 145.20 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-yl)propan-1-amine is sourced from PubChem (CID 54105065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).