1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine

C10H23N3O — CID 79249185

IUPAC1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine
SMILESCC(C)[C@@H](CO)/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H23N3O/c1-7(2)8(6-14)12-9(11)13-10(3,4)5/h7-8,14H,6H2,1-5H3,(H3,11,12,13)/t8-/m1/s1
InChIKeyLUCCSGLLWNHMCO-MRVPVSSYSA-N
MW201.31 g/mol
LogP0.71
Rot. Bonds3

About 1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine

1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine (PubChem CID 79249185) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine
PubChem CID79249185
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine
SMILESCC(C)[C@@H](CO)/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H23N3O/c1-7(2)8(6-14)12-9(11)13-10(3,4)5/h7-8,14H,6H2,1-5H3,(H3,11,12,13)/t8-/m1/s1
InChIKeyLUCCSGLLWNHMCO-MRVPVSSYSA-N
XLogP0.71
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 ≤ 50.71
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-(1-hydroxy-3-methylbutan-2-yl)guanidine
CID 59851371
1-tert-butyl-2-(4-methylpent-1-yn-3-yl)guanidine
CID 130481558
1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine
CID 63189528
1-tert-butyl-2-pent-1-yn-3-ylguanidine
CID 103577839
1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine
CID 63012485
1-tert-butyl-2-octan-4-ylguanidine
CID 106025625
2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine
CID 62361572
1-tert-butyl-2-[1-(3-chlorophenyl)ethyl]guanidine
CID 62363103
1-tert-butyl-2-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111757943
N-tert-butyl-N'-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylpropanimidamide
CID 175630515
1-tert-butyl-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111035627
1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-propan-2-ylguanidine
CID 107865986

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine?
The IUPAC name of 1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine (CID 79249185) is 1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine is CC(C)[C@@H](CO)/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine?
The InChIKey is LUCCSGLLWNHMCO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-7(2)8(6-14)12-9(11)13-10(3,4)5/h7-8,14H,6H2,1-5H3,(H3,11,12,13)/t8-/m1/s1.
What are the key properties of 1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine?
1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine has a molecular weight of 201.31 g/mol, XLogP of 0.71, 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-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine is sourced from PubChem (CID 79249185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).