1-(2,2-dihydroxyethyl)-1-ethylguanidine

C5H13N3O2 — CID 20660155

IUPAC1-(2,2-dihydroxyethyl)-1-ethylguanidine
SMILES[H]/N=C(\N)N(CC)CC(O)O
InChIInChI=1S/C5H13N3O2/c1-2-8(5(6)7)3-4(9)10/h4,9-10H,2-3H2,1H3,(H3,6,7)
InChIKeyXCAOPCCLJDYYHX-UHFFFAOYSA-N
MW147.18 g/mol
LogP-1.49
Rot. Bonds3

About 1-(2,2-dihydroxyethyl)-1-ethylguanidine

1-(2,2-dihydroxyethyl)-1-ethylguanidine (PubChem CID 20660155) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-(2,2-dihydroxyethyl)-1-ethylguanidine.

Molecular Properties

Compound Name1-(2,2-dihydroxyethyl)-1-ethylguanidine
PubChem CID20660155
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC Name1-(2,2-dihydroxyethyl)-1-ethylguanidine
SMILES[H]/N=C(\N)N(CC)CC(O)O
InChIInChI=1S/C5H13N3O2/c1-2-8(5(6)7)3-4(9)10/h4,9-10H,2-3H2,1H3,(H3,6,7)
InChIKeyXCAOPCCLJDYYHX-UHFFFAOYSA-N
XLogP-1.49
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-Hydroxyethyl)-N-methylguanidine
CID 83440
N-(2-Hydroxyethyl)-N-methylguanidine monohydrobromide
CID 3014527
1-(2,2-Dihydroxyethyl)-1-methylguanidine
CID 449017
1,1-Bis(2-hydroxyethyl)guanidine
CID 15875102
1-(1,1-Dihydroxypropan-2-yl)-1-methylguanidine
CID 20660154
1-(2,2-Dihydroxyethyl)-1-propylguanidine
CID 20660156
2-(2-Amino-4,5-dihydroimidazol-1-yl)ethane-1,1-diol
CID 53894324
1-(2-Hydroxyethyl)-1-methylguanidine;hydroiodide
CID 87307820
Ethane;1-(2-hydroxyethyl)-1-methylguanidine
CID 141980989
1-Ethyl-1-(2-hydroxyethyl)guanidine
CID 53943298
1-Ethyl-2-hydroxy-1-(2-hydroxyethyl)guanidine
CID 62481082
CID 76944228
CID 76944228

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dihydroxyethyl)-1-ethylguanidine?
The IUPAC name of 1-(2,2-dihydroxyethyl)-1-ethylguanidine (CID 20660155) is 1-(2,2-dihydroxyethyl)-1-ethylguanidine.
What is the SMILES notation for 1-(2,2-dihydroxyethyl)-1-ethylguanidine?
The canonical SMILES for 1-(2,2-dihydroxyethyl)-1-ethylguanidine is [H]/N=C(\N)N(CC)CC(O)O.
What is the InChIKey of 1-(2,2-dihydroxyethyl)-1-ethylguanidine?
The InChIKey is XCAOPCCLJDYYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2/c1-2-8(5(6)7)3-4(9)10/h4,9-10H,2-3H2,1H3,(H3,6,7).
What are the key properties of 1-(2,2-dihydroxyethyl)-1-ethylguanidine?
1-(2,2-dihydroxyethyl)-1-ethylguanidine has a molecular weight of 147.18 g/mol, XLogP of -1.49, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dihydroxyethyl)-1-ethylguanidine is sourced from PubChem (CID 20660155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).