2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine

C11H25N3O — CID 66171874

IUPAC2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine
SMILESCC(C)CC(C)(O)C/N=C(\N)NC(C)C
InChIInChI=1S/C11H25N3O/c1-8(2)6-11(5,15)7-13-10(12)14-9(3)4/h8-9,15H,6-7H2,1-5H3,(H3,12,13,14)
InChIKeyDOAUUJRAWIWZMR-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.10
Rot. Bonds5

About 2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine

2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine (PubChem CID 66171874) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine
PubChem CID66171874
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine
SMILESCC(C)CC(C)(O)C/N=C(\N)NC(C)C
InChIInChI=1S/C11H25N3O/c1-8(2)6-11(5,15)7-13-10(12)14-9(3)4/h8-9,15H,6-7H2,1-5H3,(H3,12,13,14)
InChIKeyDOAUUJRAWIWZMR-UHFFFAOYSA-N
XLogP1.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine 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 2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine (CID 66171874) is 2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine is CC(C)CC(C)(O)C/N=C(\N)NC(C)C.
What is the InChIKey of 2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine?
The InChIKey is DOAUUJRAWIWZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-8(2)6-11(5,15)7-13-10(12)14-9(3)4/h8-9,15H,6-7H2,1-5H3,(H3,12,13,14).
What are the key properties of 2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine?
2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine has a molecular weight of 215.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2,4-dimethylpentyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 66171874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).