1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine

C6H15N3O2 — CID 15514971

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCCO
InChIInChI=1S/C6H15N3O2/c1-9(6(7)8)2-4-11-5-3-10/h10H,2-5H2,1H3,(H3,7,8)
InChIKeyAKSXIOWKSKFKHY-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.18
Rot. Bonds5

About 1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine

1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine (PubChem CID 15514971) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine
PubChem CID15514971
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCCO
InChIInChI=1S/C6H15N3O2/c1-9(6(7)8)2-4-11-5-3-10/h10H,2-5H2,1H3,(H3,7,8)
InChIKeyAKSXIOWKSKFKHY-UHFFFAOYSA-N
XLogP-1.18
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine (CID 15514971) is 1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine is [H]/N=C(\N)N(C)CCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine?
The InChIKey is AKSXIOWKSKFKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-9(6(7)8)2-4-11-5-3-10/h10H,2-5H2,1H3,(H3,7,8).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine?
1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine has a molecular weight of 161.20 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-1-methylguanidine is sourced from PubChem (CID 15514971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).