1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine

C7H18N4O — CID 106148871

IUPAC1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine
SMILESCC(C)(CCO)C/N=C(\N)NN
InChIInChI=1S/C7H18N4O/c1-7(2,3-4-12)5-10-6(8)11-9/h12H,3-5,9H2,1-2H3,(H3,8,10,11)
InChIKeyBWLQAWUHHVDCNA-UHFFFAOYSA-N
MW174.25 g/mol
LogP-0.83
Rot. Bonds4

About 1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine

1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine (PubChem CID 106148871) has the molecular formula C7H18N4O and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine
PubChem CID106148871
Molecular FormulaC7H18N4O
Molecular Weight174.25 g/mol
Exact Mass174.15
IUPAC Name1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine
SMILESCC(C)(CCO)C/N=C(\N)NN
InChIInChI=1S/C7H18N4O/c1-7(2,3-4-12)5-10-6(8)11-9/h12H,3-5,9H2,1-2H3,(H3,8,10,11)
InChIKeyBWLQAWUHHVDCNA-UHFFFAOYSA-N
XLogP-0.83
TPSA96.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine
CID 106148866
2-(4-hydroxy-2,2-dimethylbutyl)guanidine
CID 103711694
2-(4-hydroxy-2,2-dimethylbutyl)-1-phenylguanidine;hydroiodide
CID 111478598
2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine
CID 106148874
1-amino-2-(2,2-dimethylbut-3-enyl)guanidine
CID 130878848
1-amino-2-propylguanidine;hydrochloride
CID 173441996
1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine
CID 131852318
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
N'-hydroxy-3-[(4-hydroxy-2,2-dimethylbutyl)amino]propanimidamide
CID 106148623
1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine
CID 176547033
1-amino-2-tert-butylguanidine
CID 13451339

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine?
The IUPAC name of 1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine (CID 106148871) is 1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine.
What is the SMILES notation for 1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine?
The canonical SMILES for 1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine is CC(C)(CCO)C/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine?
The InChIKey is BWLQAWUHHVDCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O/c1-7(2,3-4-12)5-10-6(8)11-9/h12H,3-5,9H2,1-2H3,(H3,8,10,11).
What are the key properties of 1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine?
1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine has a molecular weight of 174.25 g/mol, XLogP of -0.83, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine is sourced from PubChem (CID 106148871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).