1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine

C5H13N3O2 — CID 62481082

IUPAC1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine
SMILESCCN(CCO)/C(N)=N/O
InChIInChI=1S/C5H13N3O2/c1-2-8(3-4-9)5(6)7-10/h9-10H,2-4H2,1H3,(H2,6,7)
InChIKeyKMQDCGSEYCYGJJ-UHFFFAOYSA-N
MW147.18 g/mol
LogP-1.00
Rot. Bonds3

About 1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine

1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine (PubChem CID 62481082) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine
PubChem CID62481082
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC Name1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine
SMILESCCN(CCO)/C(N)=N/O
InChIInChI=1S/C5H13N3O2/c1-2-8(3-4-9)5(6)7-10/h9-10H,2-4H2,1H3,(H2,6,7)
InChIKeyKMQDCGSEYCYGJJ-UHFFFAOYSA-N
XLogP-1.00
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine?
The IUPAC name of 1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine (CID 62481082) is 1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine?
The canonical SMILES for 1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine is CCN(CCO)/C(N)=N/O.
What is the InChIKey of 1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine?
The InChIKey is KMQDCGSEYCYGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2/c1-2-8(3-4-9)5(6)7-10/h9-10H,2-4H2,1H3,(H2,6,7).
What are the key properties of 1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine?
1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine has a molecular weight of 147.18 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine is sourced from PubChem (CID 62481082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).