1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide

C4H12IN3O — CID 87307820

IUPAC1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide
SMILESI.[H]/N=C(\N)N(C)CCO
InChIInChI=1S/C4H11N3O.HI/c1-7(2-3-8)4(5)6;/h8H,2-3H2,1H3,(H3,5,6);1H
InChIKeyWIOMZKNUFHBPPT-UHFFFAOYSA-N
MW245.06 g/mol
LogP-0.58
Rot. Bonds2

About 1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide

1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide (PubChem CID 87307820) has the molecular formula C4H12IN3O and a molecular weight of 245.06 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide
PubChem CID87307820
Molecular FormulaC4H12IN3O
Molecular Weight245.06 g/mol
Exact Mass245.00
IUPAC Name1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide
SMILESI.[H]/N=C(\N)N(C)CCO
InChIInChI=1S/C4H11N3O.HI/c1-7(2-3-8)4(5)6;/h8H,2-3H2,1H3,(H3,5,6);1H
InChIKeyWIOMZKNUFHBPPT-UHFFFAOYSA-N
XLogP-0.58
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 5-0.58
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'}, {'alert_name': 'iodine', '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-(2-Methoxyethyl)-1-methylguanidine
CID 18681253
1-(2-Hydroxypropyl)-1-methylguanidine
CID 18681356
1-(2,2-Dihydroxyethyl)-1-ethylguanidine
CID 20660155
1-(1-Hydroxyethyl)-1-methylguanidine
CID 21449246
1-(2-Hydroperoxyethyl)-1-methylguanidine
CID 53764822
1-(2-Hydroxyethyl)-1,3-dimethylguanidine
CID 55287328
1-Cyano-1-(2-hydroxyethyl)guanidine
CID 85533540
Ethoxyethane;1-(2-hydroxyethyl)-1-methylguanidine
CID 88414569

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide (CID 87307820) is 1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide is I.[H]/N=C(\N)N(C)CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide?
The InChIKey is WIOMZKNUFHBPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O.HI/c1-7(2-3-8)4(5)6;/h8H,2-3H2,1H3,(H3,5,6);1H.
What are the key properties of 1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide?
1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide has a molecular weight of 245.06 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methylguanidine;hydroiodide is sourced from PubChem (CID 87307820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).