2-(2,2-dimethylpropyl)morpholine-4-carboximidamide

C10H21N3O — CID 67629081

IUPAC2-(2,2-dimethylpropyl)morpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOC(CC(C)(C)C)C1
InChIInChI=1S/C10H21N3O/c1-10(2,3)6-8-7-13(9(11)12)4-5-14-8/h8H,4-7H2,1-3H3,(H3,11,12)
InChIKeyKEXCAIZOLLHHCZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.02
Rot. Bonds1

About 2-(2,2-dimethylpropyl)morpholine-4-carboximidamide

2-(2,2-dimethylpropyl)morpholine-4-carboximidamide (PubChem CID 67629081) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)morpholine-4-carboximidamide
PubChem CID67629081
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(2,2-dimethylpropyl)morpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOC(CC(C)(C)C)C1
InChIInChI=1S/C10H21N3O/c1-10(2,3)6-8-7-13(9(11)12)4-5-14-8/h8H,4-7H2,1-3H3,(H3,11,12)
InChIKeyKEXCAIZOLLHHCZ-UHFFFAOYSA-N
XLogP1.02
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
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 2-(2,2-dimethylpropyl)morpholine-4-carboximidamide?
The IUPAC name of 2-(2,2-dimethylpropyl)morpholine-4-carboximidamide (CID 67629081) is 2-(2,2-dimethylpropyl)morpholine-4-carboximidamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)morpholine-4-carboximidamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)morpholine-4-carboximidamide is [H]/N=C(\N)N1CCOC(CC(C)(C)C)C1.
What is the InChIKey of 2-(2,2-dimethylpropyl)morpholine-4-carboximidamide?
The InChIKey is KEXCAIZOLLHHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)6-8-7-13(9(11)12)4-5-14-8/h8H,4-7H2,1-3H3,(H3,11,12).
What are the key properties of 2-(2,2-dimethylpropyl)morpholine-4-carboximidamide?
2-(2,2-dimethylpropyl)morpholine-4-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 67629081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).