ethoxyethane;guanidine

C5H15N3O — CID 87089241

IUPACethoxyethane;guanidine
SMILESCCOCC.[H]N=C(N)N
InChIInChI=1S/C4H10O.CH5N3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;(H5,2,3,4)
InChIKeyBITUMTULRQGEIK-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.12
Rot. Bonds2

About ethoxyethane;guanidine

ethoxyethane;guanidine (PubChem CID 87089241) has the molecular formula C5H15N3O and a molecular weight of 133.19 g/mol. Its IUPAC name is ethoxyethane;guanidine.

Molecular Properties

Compound Nameethoxyethane;guanidine
PubChem CID87089241
Molecular FormulaC5H15N3O
Molecular Weight133.19 g/mol
Exact Mass133.12
IUPAC Nameethoxyethane;guanidine
SMILESCCOCC.[H]N=C(N)N
InChIInChI=1S/C4H10O.CH5N3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;(H5,2,3,4)
InChIKeyBITUMTULRQGEIK-UHFFFAOYSA-N
XLogP-0.12
TPSA85.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;hydroxylamine
CID 135816400
azane;ethoxyethane;hydroxylamine
CID 173273228
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethanamine;ethoxyethane
CID 87409390
ethoxyethane;methyl carbamate
CID 18755981
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
ethoxyethane;pentahydrate
CID 141041283
disodium;ethoxyethane
CID 23107014
ethoxyethane;hydrate
CID 22594236
tris(ethane-1,2-diol);ethoxyethane
CID 173395808

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;guanidine?
The IUPAC name of ethoxyethane;guanidine (CID 87089241) is ethoxyethane;guanidine.
What is the SMILES notation for ethoxyethane;guanidine?
The canonical SMILES for ethoxyethane;guanidine is CCOCC.[H]N=C(N)N.
What is the InChIKey of ethoxyethane;guanidine?
The InChIKey is BITUMTULRQGEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.CH5N3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;(H5,2,3,4).
What are the key properties of ethoxyethane;guanidine?
ethoxyethane;guanidine has a molecular weight of 133.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;guanidine is sourced from PubChem (CID 87089241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).