5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide

C11H25N3O — CID 65258532

IUPAC5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)CC(C)O
InChIInChI=1S/C11H25N3O/c1-9(15)8-14(4)7-5-6-11(2,3)10(12)13/h9,15H,5-8H2,1-4H3,(H3,12,13)
InChIKeyDJYWGKZRHIGPGV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.04
Rot. Bonds7

About 5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide

5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 65258532) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide
PubChem CID65258532
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)CC(C)O
InChIInChI=1S/C11H25N3O/c1-9(15)8-14(4)7-5-6-11(2,3)10(12)13/h9,15H,5-8H2,1-4H3,(H3,12,13)
InChIKeyDJYWGKZRHIGPGV-UHFFFAOYSA-N
XLogP1.04
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.04
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'}

Analyze 5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide (CID 65258532) is 5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(C)CC(C)O.
What is the InChIKey of 5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is DJYWGKZRHIGPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-9(15)8-14(4)7-5-6-11(2,3)10(12)13/h9,15H,5-8H2,1-4H3,(H3,12,13).
What are the key properties of 5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide?
5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).