(2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium

C8H16N2O2 — CID 153493571

IUPAC(2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium
SMILES[CH2-][NH2+]C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C8H16N2O2/c1-6-4-10(8(11)9-3)5-7(2)12-6/h6-7H,3-5,9H2,1-2H3
InChIKeyGFRWLDDNEMPYHQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.43
Rot. Bonds

About (2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium

(2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium (PubChem CID 153493571) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium.

Molecular Properties

Compound Name(2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium
PubChem CID153493571
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium
SMILES[CH2-][NH2+]C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C8H16N2O2/c1-6-4-10(8(11)9-3)5-7(2)12-6/h6-7H,3-5,9H2,1-2H3
InChIKeyGFRWLDDNEMPYHQ-UHFFFAOYSA-N
XLogP-0.43
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium?
The IUPAC name of (2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium (CID 153493571) is (2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium.
What is the SMILES notation for (2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium?
The canonical SMILES for (2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium is [CH2-][NH2+]C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of (2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium?
The InChIKey is GFRWLDDNEMPYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6-4-10(8(11)9-3)5-7(2)12-6/h6-7H,3-5,9H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium?
(2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium has a molecular weight of 172.23 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholine-4-carbonyl)-methanidylazanium is sourced from PubChem (CID 153493571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).