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

C10H23N3O — CID 106148866

IUPAC2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(C)(C)CCO
InChIInChI=1S/C10H23N3O/c1-8(2)13-9(11)12-7-10(3,4)5-6-14/h8,14H,5-7H2,1-4H3,(H3,11,12,13)
InChIKeyGWTKBNQGUSFFHM-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.71
Rot. Bonds5

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

2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine (PubChem CID 106148866) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine
PubChem CID106148866
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(C)(C)CCO
InChIInChI=1S/C10H23N3O/c1-8(2)13-9(11)12-7-10(3,4)5-6-14/h8,14H,5-7H2,1-4H3,(H3,11,12,13)
InChIKeyGWTKBNQGUSFFHM-UHFFFAOYSA-N
XLogP0.71
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.71
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'}

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Related Compounds

2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine
CID 106148874
1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine
CID 106148871
2-(4-hydroxy-2,2-dimethylbutyl)guanidine
CID 103711694
2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine
CID 111813102
2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912360
2-(4-hydroxy-2,2-dimethylbutyl)-1-phenylguanidine;hydroiodide
CID 111478598
2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
CID 62363532
2-(4-hydroxy-2-methylbutyl)-1-propan-2-ylguanidine
CID 66108620
2-[2-(4-ethylphenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111859843
2-(2-hydroxy-4,4-dimethylpentyl)-1-propan-2-ylguanidine
CID 107153084
1-propan-2-yl-2-(4,4,4-trifluorobutyl)guanidine
CID 79822616
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111095348

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine (CID 106148866) is 2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC(C)(C)CCO.
What is the InChIKey of 2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine?
The InChIKey is GWTKBNQGUSFFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-8(2)13-9(11)12-7-10(3,4)5-6-14/h8,14H,5-7H2,1-4H3,(H3,11,12,13).
What are the key properties of 2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine?
2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine has a molecular weight of 201.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 106148866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).