2-(1-hydroxy-3-methylbutan-2-yl)guanidine

C6H15N3O — CID 59851371

IUPAC2-(1-hydroxy-3-methylbutan-2-yl)guanidine
SMILESCC(C)C(CO)N=C(N)N
InChIInChI=1S/C6H15N3O/c1-4(2)5(3-10)9-6(7)8/h4-5,10H,3H2,1-2H3,(H4,7,8,9)
InChIKeyPWUUHTQEDXRXBJ-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.72
Rot. Bonds3

About 2-(1-hydroxy-3-methylbutan-2-yl)guanidine

2-(1-hydroxy-3-methylbutan-2-yl)guanidine (PubChem CID 59851371) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methylbutan-2-yl)guanidine.

Molecular Properties

Compound Name2-(1-hydroxy-3-methylbutan-2-yl)guanidine
PubChem CID59851371
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name2-(1-hydroxy-3-methylbutan-2-yl)guanidine
SMILESCC(C)C(CO)N=C(N)N
InChIInChI=1S/C6H15N3O/c1-4(2)5(3-10)9-6(7)8/h4-5,10H,3H2,1-2H3,(H4,7,8,9)
InChIKeyPWUUHTQEDXRXBJ-UHFFFAOYSA-N
XLogP-0.72
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.72
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

1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine
CID 79249185
2-(2-hydroxypentan-3-yl)guanidine
CID 131162693
2-(1-hydroxy-4-methylpentan-2-yl)guanidine
CID 62358457
N'-(1,3-dihydroxybutan-2-yl)-2,2-dihydroxyethanimidamide
CID 167039344
2-[(2S)-pentan-2-yl]guanidine
CID 94416084
2-[1-(hydroxymethylsulfanyl)ethyl]guanidine
CID 118327746
2-(1-aminoethyl)guanidine;hydrochloride
CID 55285511
4-bromo-N-hydroxy-N'-(1-hydroxy-3-methylbutan-2-yl)benzenecarboximidamide
CID 13294000
2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine
CID 62361572
2-(1-aminooxyethyl)guanidine
CID 173251677
(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
N'-(2-methylpentan-3-yl)cyclopropanecarboximidamide
CID 63176981

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methylbutan-2-yl)guanidine?
The IUPAC name of 2-(1-hydroxy-3-methylbutan-2-yl)guanidine (CID 59851371) is 2-(1-hydroxy-3-methylbutan-2-yl)guanidine.
What is the SMILES notation for 2-(1-hydroxy-3-methylbutan-2-yl)guanidine?
The canonical SMILES for 2-(1-hydroxy-3-methylbutan-2-yl)guanidine is CC(C)C(CO)N=C(N)N.
What is the InChIKey of 2-(1-hydroxy-3-methylbutan-2-yl)guanidine?
The InChIKey is PWUUHTQEDXRXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-4(2)5(3-10)9-6(7)8/h4-5,10H,3H2,1-2H3,(H4,7,8,9).
What are the key properties of 2-(1-hydroxy-3-methylbutan-2-yl)guanidine?
2-(1-hydroxy-3-methylbutan-2-yl)guanidine has a molecular weight of 145.21 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methylbutan-2-yl)guanidine is sourced from PubChem (CID 59851371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).