1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine

C6H16N4O — CID 104865678

IUPAC1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine
SMILESCC(CO)C(C)/N=C(\N)NN
InChIInChI=1S/C6H16N4O/c1-4(3-11)5(2)9-6(7)10-8/h4-5,11H,3,8H2,1-2H3,(H3,7,9,10)
InChIKeyZHWAWKBOWNFHCA-UHFFFAOYSA-N
MW160.22 g/mol
LogP-1.22
Rot. Bonds3

About 1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine

1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine (PubChem CID 104865678) has the molecular formula C6H16N4O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine
PubChem CID104865678
Molecular FormulaC6H16N4O
Molecular Weight160.22 g/mol
Exact Mass160.13
IUPAC Name1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine
SMILESCC(CO)C(C)/N=C(\N)NN
InChIInChI=1S/C6H16N4O/c1-4(3-11)5(2)9-6(7)10-8/h4-5,11H,3,8H2,1-2H3,(H3,7,9,10)
InChIKeyZHWAWKBOWNFHCA-UHFFFAOYSA-N
XLogP-1.22
TPSA96.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[amino(hydrazinyl)methylidene]amino]butanamide
CID 104870450
2-[[amino(hydrazinyl)methylidene]amino]propanamide
CID 64867512
(2S)-2-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 142796198
diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate
CID 175233905
1-amino-2-[1-(4-methylphenyl)ethyl]guanidine
CID 64866886
1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine
CID 64869068
1-(1-hydroxypropan-2-yl)-2-methylguanidine
CID 62359529
1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine
CID 64872450
1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine
CID 131852318
1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine
CID 64872844
2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 174735691

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine?
The IUPAC name of 1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine (CID 104865678) is 1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine is CC(CO)C(C)/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine?
The InChIKey is ZHWAWKBOWNFHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O/c1-4(3-11)5(2)9-6(7)10-8/h4-5,11H,3,8H2,1-2H3,(H3,7,9,10).
What are the key properties of 1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine?
1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine has a molecular weight of 160.22 g/mol, XLogP of -1.22, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-hydroxy-3-methylbutan-2-yl)guanidine is sourced from PubChem (CID 104865678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).