5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide

C12H27N3O — CID 79387380

IUPAC5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)CC(C)(C)O
InChIInChI=1S/C12H27N3O/c1-11(2,10(13)14)7-6-8-15(5)9-12(3,4)16/h16H,6-9H2,1-5H3,(H3,13,14)
InChIKeyNUBZBTMGMWUPOX-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.43
Rot. Bonds7

About 5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide

5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide (PubChem CID 79387380) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide
PubChem CID79387380
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)CC(C)(C)O
InChIInChI=1S/C12H27N3O/c1-11(2,10(13)14)7-6-8-15(5)9-12(3,4)16/h16H,6-9H2,1-5H3,(H3,13,14)
InChIKeyNUBZBTMGMWUPOX-UHFFFAOYSA-N
XLogP1.43
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.43
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-hydroxy-2-methylpropyl)-methylamino]-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-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide (CID 79387380) is 5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(C)CC(C)(C)O.
What is the InChIKey of 5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide?
The InChIKey is NUBZBTMGMWUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-11(2,10(13)14)7-6-8-15(5)9-12(3,4)16/h16H,6-9H2,1-5H3,(H3,13,14).
What are the key properties of 5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide?
5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide has a molecular weight of 229.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 79387380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).