4-oxido-2-propylmorpholin-4-ium-2-amine

C7H16N2O2 — CID 174448638

IUPAC4-oxido-2-propylmorpholin-4-ium-2-amine
SMILESCCCC1(N)C[NH+]([O-])CCO1
InChIInChI=1S/C7H16N2O2/c1-2-3-7(8)6-9(10)4-5-11-7/h9H,2-6,8H2,1H3
InChIKeyADCIZNKWXWGWQR-UHFFFAOYSA-N
MW160.22 g/mol
LogP-1.15
Rot. Bonds2

About 4-oxido-2-propylmorpholin-4-ium-2-amine

4-oxido-2-propylmorpholin-4-ium-2-amine (PubChem CID 174448638) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-oxido-2-propylmorpholin-4-ium-2-amine.

Molecular Properties

Compound Name4-oxido-2-propylmorpholin-4-ium-2-amine
PubChem CID174448638
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name4-oxido-2-propylmorpholin-4-ium-2-amine
SMILESCCCC1(N)C[NH+]([O-])CCO1
InChIInChI=1S/C7H16N2O2/c1-2-3-7(8)6-9(10)4-5-11-7/h9H,2-6,8H2,1H3
InChIKeyADCIZNKWXWGWQR-UHFFFAOYSA-N
XLogP-1.15
TPSA62.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxido-2-propylmorpholin-2-amine
CID 174448639
2-octyloxiran-2-amine
CID 87096100
4-oxido-2-propylmorpholin-4-ium
CID 155144361
2-[(E)-2-chloroethenyl]-2-propyl-1,3-dioxolane
CID 11789753
1-propyl-2-oxabicyclo[2.2.2]octan-4-amine
CID 123911016
1-(2-propyloxetan-2-yl)ethanol
CID 68634857
2-methyl-2-propyl-1,3,6-trioxocane
CID 89306416
(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
CID 58254236
2,2-dipropylcyclohexane-1,1-diamine
CID 175187242
4-methyl-4-propyloxathietane 2,2-dioxide
CID 134926282
azane;1-propylcyclopentan-1-amine
CID 118268242
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766

Frequently Asked Questions

What is the IUPAC name of 4-oxido-2-propylmorpholin-4-ium-2-amine?
The IUPAC name of 4-oxido-2-propylmorpholin-4-ium-2-amine (CID 174448638) is 4-oxido-2-propylmorpholin-4-ium-2-amine.
What is the SMILES notation for 4-oxido-2-propylmorpholin-4-ium-2-amine?
The canonical SMILES for 4-oxido-2-propylmorpholin-4-ium-2-amine is CCCC1(N)C[NH+]([O-])CCO1.
What is the InChIKey of 4-oxido-2-propylmorpholin-4-ium-2-amine?
The InChIKey is ADCIZNKWXWGWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-2-3-7(8)6-9(10)4-5-11-7/h9H,2-6,8H2,1H3.
What are the key properties of 4-oxido-2-propylmorpholin-4-ium-2-amine?
4-oxido-2-propylmorpholin-4-ium-2-amine has a molecular weight of 160.22 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxido-2-propylmorpholin-4-ium-2-amine is sourced from PubChem (CID 174448638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).