3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide

C9H21N3O — CID 79387926

IUPAC3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC(C)(C)O
InChIInChI=1S/C9H21N3O/c1-7(8(10)11)5-12(4)6-9(2,3)13/h7,13H,5-6H2,1-4H3,(H3,10,11)
InChIKeySZYFSZCQUGPQKL-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.26
Rot. Bonds5

About 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide

3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide (PubChem CID 79387926) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide
PubChem CID79387926
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC(C)(C)O
InChIInChI=1S/C9H21N3O/c1-7(8(10)11)5-12(4)6-9(2,3)13/h7,13H,5-6H2,1-4H3,(H3,10,11)
InChIKeySZYFSZCQUGPQKL-UHFFFAOYSA-N
XLogP0.26
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
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 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide?
The IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide (CID 79387926) is 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide?
The canonical SMILES for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)CC(C)(C)O.
What is the InChIKey of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide?
The InChIKey is SZYFSZCQUGPQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(8(10)11)5-12(4)6-9(2,3)13/h7,13H,5-6H2,1-4H3,(H3,10,11).
What are the key properties of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide?
3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide has a molecular weight of 187.29 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2-methylpropanimidamide is sourced from PubChem (CID 79387926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).