3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide

C9H19N3O2 — CID 81203073

IUPAC3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCOC(CO)C1
InChIInChI=1S/C9H19N3O2/c1-7(9(10)11)4-12-2-3-14-8(5-12)6-13/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyQNTIPJNDQUMVTK-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.75
Rot. Bonds4

About 3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide

3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide (PubChem CID 81203073) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide
PubChem CID81203073
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCOC(CO)C1
InChIInChI=1S/C9H19N3O2/c1-7(9(10)11)4-12-2-3-14-8(5-12)6-13/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyQNTIPJNDQUMVTK-UHFFFAOYSA-N
XLogP-0.75
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide?
The IUPAC name of 3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide (CID 81203073) is 3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide?
The canonical SMILES for 3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCOC(CO)C1.
What is the InChIKey of 3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide?
The InChIKey is QNTIPJNDQUMVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(9(10)11)4-12-2-3-14-8(5-12)6-13/h7-8,13H,2-6H2,1H3,(H3,10,11).
What are the key properties of 3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide?
3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide is sourced from PubChem (CID 81203073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).