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

C4H13Cl2N3O — CID 139998967

IUPAC1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N(C)CCO
InChIInChI=1S/C4H11N3O.2ClH/c1-7(2-3-8)4(5)6;;/h8H,2-3H2,1H3,(H3,5,6);2*1H
InChIKeyJLVVQENPDCKTOH-UHFFFAOYSA-N
MW190.07 g/mol
LogP-0.35
Rot. Bonds2

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

1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride (PubChem CID 139998967) has the molecular formula C4H13Cl2N3O and a molecular weight of 190.07 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride
PubChem CID139998967
Molecular FormulaC4H13Cl2N3O
Molecular Weight190.07 g/mol
Exact Mass189.04
IUPAC Name1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N(C)CCO
InChIInChI=1S/C4H11N3O.2ClH/c1-7(2-3-8)4(5)6;;/h8H,2-3H2,1H3,(H3,5,6);2*1H
InChIKeyJLVVQENPDCKTOH-UHFFFAOYSA-N
XLogP-0.35
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 5-0.35
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

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-Hydroxypropyl)-1-methylguanidine
CID 18681356
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
1-(2-Hydroxyethyl)-1-methylguanidine;hydroiodide
CID 87307820
1-Carbamimidoyl-1-(2-hydroxyethyl)guanidine
CID 129653659
Ethane;1-(2-hydroxyethyl)-1-methylguanidine
CID 141980989

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride?
The IUPAC name of 1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride (CID 139998967) is 1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride is Cl.Cl.[H]/N=C(\N)N(C)CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride?
The InChIKey is JLVVQENPDCKTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O.2ClH/c1-7(2-3-8)4(5)6;;/h8H,2-3H2,1H3,(H3,5,6);2*1H.
What are the key properties of 1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride?
1-(2-hydroxyethyl)-1-methylguanidine;dihydrochloride has a molecular weight of 190.07 g/mol, XLogP of -0.35, 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;dihydrochloride is sourced from PubChem (CID 139998967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).