1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine

C8H17N3O — CID 174342279

IUPAC1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine
SMILESC=N/C(=N\C)N[C@@H](CO)C(C)C
InChIInChI=1S/C8H17N3O/c1-6(2)7(5-12)11-8(9-3)10-4/h6-7,12H,3,5H2,1-2,4H3,(H,10,11)/t7-/m0/s1
InChIKeyHNUHJESJFCSHPS-ZETCQYMHSA-N
MW171.24 g/mol
LogP0.28
Rot. Bonds3

About 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine

1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine (PubChem CID 174342279) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine
PubChem CID174342279
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine
SMILESC=N/C(=N\C)N[C@@H](CO)C(C)C
InChIInChI=1S/C8H17N3O/c1-6(2)7(5-12)11-8(9-3)10-4/h6-7,12H,3,5H2,1-2,4H3,(H,10,11)/t7-/m0/s1
InChIKeyHNUHJESJFCSHPS-ZETCQYMHSA-N
XLogP0.28
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine 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 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine?
The IUPAC name of 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine (CID 174342279) is 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine.
What is the SMILES notation for 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine?
The canonical SMILES for 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine is C=N/C(=N\C)N[C@@H](CO)C(C)C.
What is the InChIKey of 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine?
The InChIKey is HNUHJESJFCSHPS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(2)7(5-12)11-8(9-3)10-4/h6-7,12H,3,5H2,1-2,4H3,(H,10,11)/t7-/m0/s1.
What are the key properties of 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine?
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine has a molecular weight of 171.24 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-methylideneguanidine is sourced from PubChem (CID 174342279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).