dimethyl(1-morpholin-4-ylethylidene)azanium

C8H17N2O+ — CID 59360810

IUPACdimethyl(1-morpholin-4-ylethylidene)azanium
SMILESCC(N1CCOCC1)=[N+](C)C
InChIInChI=1S/C8H17N2O/c1-8(9(2)3)10-4-6-11-7-5-10/h4-7H2,1-3H3/q+1
InChIKeyZMNXMBQGVFXBNK-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.01
Rot. Bonds

About dimethyl(1-morpholin-4-ylethylidene)azanium

dimethyl(1-morpholin-4-ylethylidene)azanium (PubChem CID 59360810) has the molecular formula C8H17N2O+ and a molecular weight of 157.24 g/mol. Its IUPAC name is dimethyl(1-morpholin-4-ylethylidene)azanium.

Molecular Properties

Compound Namedimethyl(1-morpholin-4-ylethylidene)azanium
PubChem CID59360810
Molecular FormulaC8H17N2O+
Molecular Weight157.24 g/mol
Exact Mass157.13
IUPAC Namedimethyl(1-morpholin-4-ylethylidene)azanium
SMILESCC(N1CCOCC1)=[N+](C)C
InChIInChI=1S/C8H17N2O/c1-8(9(2)3)10-4-6-11-7-5-10/h4-7H2,1-3H3/q+1
InChIKeyZMNXMBQGVFXBNK-UHFFFAOYSA-N
XLogP0.01
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(1-morpholin-4-ylethylidene)azanium?
The IUPAC name of dimethyl(1-morpholin-4-ylethylidene)azanium (CID 59360810) is dimethyl(1-morpholin-4-ylethylidene)azanium.
What is the SMILES notation for dimethyl(1-morpholin-4-ylethylidene)azanium?
The canonical SMILES for dimethyl(1-morpholin-4-ylethylidene)azanium is CC(N1CCOCC1)=[N+](C)C.
What is the InChIKey of dimethyl(1-morpholin-4-ylethylidene)azanium?
The InChIKey is ZMNXMBQGVFXBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O/c1-8(9(2)3)10-4-6-11-7-5-10/h4-7H2,1-3H3/q+1.
What are the key properties of dimethyl(1-morpholin-4-ylethylidene)azanium?
dimethyl(1-morpholin-4-ylethylidene)azanium has a molecular weight of 157.24 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1-morpholin-4-ylethylidene)azanium is sourced from PubChem (CID 59360810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).