1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine

C10H22N4O — CID 99816407

IUPAC1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCN1CCOC(C)(C)C1
InChIInChI=1S/C10H22N4O/c1-10(2)8-14(6-7-15-10)5-4-13-9(11)12-3/h4-8H2,1-3H3,(H3,11,12,13)
InChIKeyDIQWCRBOGMGXET-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.37
Rot. Bonds3

About 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine

1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine (PubChem CID 99816407) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine
PubChem CID99816407
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCN1CCOC(C)(C)C1
InChIInChI=1S/C10H22N4O/c1-10(2)8-14(6-7-15-10)5-4-13-9(11)12-3/h4-8H2,1-3H3,(H3,11,12,13)
InChIKeyDIQWCRBOGMGXET-UHFFFAOYSA-N
XLogP-0.37
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine (CID 99816407) is 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine is C/N=C(\N)NCCN1CCOC(C)(C)C1.
What is the InChIKey of 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine?
The InChIKey is DIQWCRBOGMGXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-10(2)8-14(6-7-15-10)5-4-13-9(11)12-3/h4-8H2,1-3H3,(H3,11,12,13).
What are the key properties of 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine?
1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine has a molecular weight of 214.31 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 99816407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).