N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide

C11H23N3O — CID 62362789

IUPACN'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCOCC1(C)C
InChIInChI=1S/C11H23N3O/c1-10(2,3)13-9(12)14-6-7-15-8-11(14,4)5/h6-8H2,1-5H3,(H2,12,13)
InChIKeyCVZUSULDKUWCRP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.21
Rot. Bonds

About N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide

N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide (PubChem CID 62362789) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide
PubChem CID62362789
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCOCC1(C)C
InChIInChI=1S/C11H23N3O/c1-10(2,3)13-9(12)14-6-7-15-8-11(14,4)5/h6-8H2,1-5H3,(H2,12,13)
InChIKeyCVZUSULDKUWCRP-UHFFFAOYSA-N
XLogP1.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide?
The IUPAC name of N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide (CID 62362789) is N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide?
The canonical SMILES for N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide is CC(C)(C)/N=C(\N)N1CCOCC1(C)C.
What is the InChIKey of N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide?
The InChIKey is CVZUSULDKUWCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(2,3)13-9(12)14-6-7-15-8-11(14,4)5/h6-8H2,1-5H3,(H2,12,13).
What are the key properties of N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide?
N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 62362789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).