1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine

C11H25N3O — CID 106173665

IUPAC1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine
SMILESCCC(C)(CCO)N/C(N)=N/CC(C)C
InChIInChI=1S/C11H25N3O/c1-5-11(4,6-7-15)14-10(12)13-8-9(2)3/h9,15H,5-8H2,1-4H3,(H3,12,13,14)
InChIKeyKQXNYZSGRBPQOQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.10
Rot. Bonds6

About 1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine

1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine (PubChem CID 106173665) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine
PubChem CID106173665
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine
SMILESCCC(C)(CCO)N/C(N)=N/CC(C)C
InChIInChI=1S/C11H25N3O/c1-5-11(4,6-7-15)14-10(12)13-8-9(2)3/h9,15H,5-8H2,1-4H3,(H3,12,13,14)
InChIKeyKQXNYZSGRBPQOQ-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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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine (CID 106173665) is 1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine is CCC(C)(CCO)N/C(N)=N/CC(C)C.
What is the InChIKey of 1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine?
The InChIKey is KQXNYZSGRBPQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-11(4,6-7-15)14-10(12)13-8-9(2)3/h9,15H,5-8H2,1-4H3,(H3,12,13,14).
What are the key properties of 1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine?
1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine 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 1-(1-hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 106173665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).