1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine

C8H20N4O — CID 66171672

IUPAC1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine
SMILESCC(C)CC(C)(O)C/N=C(\N)NN
InChIInChI=1S/C8H20N4O/c1-6(2)4-8(3,13)5-11-7(9)12-10/h6,13H,4-5,10H2,1-3H3,(H3,9,11,12)
InChIKeyHODYXJCGNMOCME-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.44
Rot. Bonds4

About 1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine

1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine (PubChem CID 66171672) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine
PubChem CID66171672
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine
SMILESCC(C)CC(C)(O)C/N=C(\N)NN
InChIInChI=1S/C8H20N4O/c1-6(2)4-8(3,13)5-11-7(9)12-10/h6,13H,4-5,10H2,1-3H3,(H3,9,11,12)
InChIKeyHODYXJCGNMOCME-UHFFFAOYSA-N
XLogP-0.44
TPSA96.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.44
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine?
The IUPAC name of 1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine (CID 66171672) is 1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine.
What is the SMILES notation for 1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine?
The canonical SMILES for 1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine is CC(C)CC(C)(O)C/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine?
The InChIKey is HODYXJCGNMOCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-6(2)4-8(3,13)5-11-7(9)12-10/h6,13H,4-5,10H2,1-3H3,(H3,9,11,12).
What are the key properties of 1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine?
1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine has a molecular weight of 188.27 g/mol, XLogP of -0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-hydroxy-2,4-dimethylpentyl)guanidine is sourced from PubChem (CID 66171672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).