(1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine

C7H15NO2 — CID 89111566

IUPAC(1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine
SMILESCCCC1OC([C@H](C)N)O1
InChIInChI=1S/C7H15NO2/c1-3-4-6-9-7(10-6)5(2)8/h5-7H,3-4,8H2,1-2H3/t5-,6?,7?/m0/s1
InChIKeyFUYZJYGHIYFUKK-VTSJMVTISA-N
MW145.20 g/mol
LogP0.83
Rot. Bonds3

About (1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine

(1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine (PubChem CID 89111566) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine
PubChem CID89111566
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine
SMILESCCCC1OC([C@H](C)N)O1
InChIInChI=1S/C7H15NO2/c1-3-4-6-9-7(10-6)5(2)8/h5-7H,3-4,8H2,1-2H3/t5-,6?,7?/m0/s1
InChIKeyFUYZJYGHIYFUKK-VTSJMVTISA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine?
The IUPAC name of (1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine (CID 89111566) is (1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine is CCCC1OC([C@H](C)N)O1.
What is the InChIKey of (1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine?
The InChIKey is FUYZJYGHIYFUKK-VTSJMVTISA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-6-9-7(10-6)5(2)8/h5-7H,3-4,8H2,1-2H3/t5-,6?,7?/m0/s1.
What are the key properties of (1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine?
(1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine has a molecular weight of 145.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-propyl-1,3-dioxetan-2-yl)ethanamine is sourced from PubChem (CID 89111566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).