1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine

C6H15N3O2 — CID 104765885

IUPAC1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine
SMILESCC(C)OCC/N=C(\N)NO
InChIInChI=1S/C6H15N3O2/c1-5(2)11-4-3-8-6(7)9-10/h5,10H,3-4H2,1-2H3,(H3,7,8,9)
InChIKeyLZAYFJSDCSYGJB-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.30
Rot. Bonds4

About 1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine

1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine (PubChem CID 104765885) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine.

Molecular Properties

Compound Name1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine
PubChem CID104765885
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine
SMILESCC(C)OCC/N=C(\N)NO
InChIInChI=1S/C6H15N3O2/c1-5(2)11-4-3-8-6(7)9-10/h5,10H,3-4H2,1-2H3,(H3,7,8,9)
InChIKeyLZAYFJSDCSYGJB-UHFFFAOYSA-N
XLogP-0.30
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hydroxy-2-(2-propan-2-yloxyethyl)guanidine?
The IUPAC name of 1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine (CID 104765885) is 1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine.
What is the SMILES notation for 1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine?
The canonical SMILES for 1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine is CC(C)OCC/N=C(\N)NO.
What is the InChIKey of 1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine?
The InChIKey is LZAYFJSDCSYGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-5(2)11-4-3-8-6(7)9-10/h5,10H,3-4H2,1-2H3,(H3,7,8,9).
What are the key properties of 1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine?
1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine has a molecular weight of 161.20 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(2-propan-2-yloxyethyl)guanidine is sourced from PubChem (CID 104765885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).