2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide

C9H19N3O — CID 62360854

IUPAC2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide
SMILESCC(C)/N=C(\N)N1CCOC(C)C1
InChIInChI=1S/C9H19N3O/c1-7(2)11-9(10)12-4-5-13-8(3)6-12/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyPQLTVUMBGRELRI-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds1

About 2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide

2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide (PubChem CID 62360854) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide
PubChem CID62360854
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide
SMILESCC(C)/N=C(\N)N1CCOC(C)C1
InChIInChI=1S/C9H19N3O/c1-7(2)11-9(10)12-4-5-13-8(3)6-12/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyPQLTVUMBGRELRI-UHFFFAOYSA-N
XLogP0.43
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.43
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 2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide (CID 62360854) is 2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide is CC(C)/N=C(\N)N1CCOC(C)C1.
What is the InChIKey of 2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The InChIKey is PQLTVUMBGRELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)11-9(10)12-4-5-13-8(3)6-12/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide?
2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide is sourced from PubChem (CID 62360854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).