(3-methylmorpholin-4-ium-4-yl)azanide

C5H12N2O — CID 163674856

IUPAC(3-methylmorpholin-4-ium-4-yl)azanide
SMILESCC1COCC[NH+]1[NH-]
InChIInChI=1S/C5H12N2O/c1-5-4-8-3-2-7(5)6/h5-7H,2-4H2,1H3
InChIKeyJFTUHVZHJMDFFT-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.74
Rot. Bonds

About (3-methylmorpholin-4-ium-4-yl)azanide

(3-methylmorpholin-4-ium-4-yl)azanide (PubChem CID 163674856) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (3-methylmorpholin-4-ium-4-yl)azanide.

Molecular Properties

Compound Name(3-methylmorpholin-4-ium-4-yl)azanide
PubChem CID163674856
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(3-methylmorpholin-4-ium-4-yl)azanide
SMILESCC1COCC[NH+]1[NH-]
InChIInChI=1S/C5H12N2O/c1-5-4-8-3-2-7(5)6/h5-7H,2-4H2,1H3
InChIKeyJFTUHVZHJMDFFT-UHFFFAOYSA-N
XLogP-0.74
TPSA37.47 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methylmorpholin-4-ium-4-yl)azanide?
The IUPAC name of (3-methylmorpholin-4-ium-4-yl)azanide (CID 163674856) is (3-methylmorpholin-4-ium-4-yl)azanide.
What is the SMILES notation for (3-methylmorpholin-4-ium-4-yl)azanide?
The canonical SMILES for (3-methylmorpholin-4-ium-4-yl)azanide is CC1COCC[NH+]1[NH-].
What is the InChIKey of (3-methylmorpholin-4-ium-4-yl)azanide?
The InChIKey is JFTUHVZHJMDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5-4-8-3-2-7(5)6/h5-7H,2-4H2,1H3.
What are the key properties of (3-methylmorpholin-4-ium-4-yl)azanide?
(3-methylmorpholin-4-ium-4-yl)azanide has a molecular weight of 116.16 g/mol, XLogP of -0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylmorpholin-4-ium-4-yl)azanide is sourced from PubChem (CID 163674856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).