1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine

C10H23N3O — CID 63365218

IUPAC1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine
SMILESCCC(C)(O)C/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H23N3O/c1-6-10(5,14)7-12-8(11)13-9(2,3)4/h14H,6-7H2,1-5H3,(H3,11,12,13)
InChIKeyCROPXUBRPZNLDD-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.85
Rot. Bonds3

About 1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine

1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine (PubChem CID 63365218) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine
PubChem CID63365218
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine
SMILESCCC(C)(O)C/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H23N3O/c1-6-10(5,14)7-12-8(11)13-9(2,3)4/h14H,6-7H2,1-5H3,(H3,11,12,13)
InChIKeyCROPXUBRPZNLDD-UHFFFAOYSA-N
XLogP0.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.85
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'}

Analyze 1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
CID 111089051
3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072569
tert-butyl N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]pentan-3-yl]carbamate
CID 111757891
1-tert-butyl-2-(3,3-difluoro-2-hydroxypropyl)guanidine
CID 103734430
1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111028795
tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate
CID 111757731
1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
CID 111101349
1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide
CID 110911999
1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide
CID 110061971
1-tert-butyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823896
1-tert-butyl-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089683
1-tert-butyl-2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]guanidine
CID 111823785

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine (CID 63365218) is 1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine is CCC(C)(O)C/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine?
The InChIKey is CROPXUBRPZNLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-6-10(5,14)7-12-8(11)13-9(2,3)4/h14H,6-7H2,1-5H3,(H3,11,12,13).
What are the key properties of 1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine?
1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine has a molecular weight of 201.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine is sourced from PubChem (CID 63365218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).