2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine

C11H25N3O — CID 106148874

IUPAC2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(C)(C)CCCO
InChIInChI=1S/C11H25N3O/c1-9(2)14-10(12)13-8-11(3,4)6-5-7-15/h9,15H,5-8H2,1-4H3,(H3,12,13,14)
InChIKeyUUEGTZJODDLAGI-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.10
Rot. Bonds6

About 2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine

2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine (PubChem CID 106148874) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine
PubChem CID106148874
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(C)(C)CCCO
InChIInChI=1S/C11H25N3O/c1-9(2)14-10(12)13-8-11(3,4)6-5-7-15/h9,15H,5-8H2,1-4H3,(H3,12,13,14)
InChIKeyUUEGTZJODDLAGI-UHFFFAOYSA-N
XLogP1.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
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'}

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Related Compounds

2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine
CID 106148866
2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine
CID 111813102
1-amino-2-(4-hydroxy-2,2-dimethylbutyl)guanidine
CID 106148871
2-[2-(dimethylamino)-2-methylpropyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912360
2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
CID 62363532
1-propan-2-yl-2-(4,4,4-trifluorobutyl)guanidine
CID 79822616
2-(4-hydroxy-2-methylbutyl)-1-propan-2-ylguanidine
CID 66108620
2-(4-hydroxy-2,2-dimethylbutyl)guanidine
CID 103711694
2-[2-(4-ethylphenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111859843
2-(2,2-dimethyl-5-phenylpentyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111813103
2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine
CID 106162010
2-(2-hydroxy-4,4-dimethylpentyl)-1-propan-2-ylguanidine
CID 107153084

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine (CID 106148874) is 2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC(C)(C)CCCO.
What is the InChIKey of 2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine?
The InChIKey is UUEGTZJODDLAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-9(2)14-10(12)13-8-11(3,4)6-5-7-15/h9,15H,5-8H2,1-4H3,(H3,12,13,14).
What are the key properties of 2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine?
2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine has a molecular weight of 215.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 106148874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).