1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine

C9H22N4O — CID 104882852

IUPAC1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine
SMILESCCC(CC)N/C(=N/CCOC)NN
InChIInChI=1S/C9H22N4O/c1-4-8(5-2)12-9(13-10)11-6-7-14-3/h8H,4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyGKOWDJBFDJJEOD-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.23
Rot. Bonds6

About 1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine

1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine (PubChem CID 104882852) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine
PubChem CID104882852
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine
SMILESCCC(CC)N/C(=N/CCOC)NN
InChIInChI=1S/C9H22N4O/c1-4-8(5-2)12-9(13-10)11-6-7-14-3/h8H,4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyGKOWDJBFDJJEOD-UHFFFAOYSA-N
XLogP0.23
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine?
The IUPAC name of 1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine (CID 104882852) is 1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine?
The canonical SMILES for 1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine is CCC(CC)N/C(=N/CCOC)NN.
What is the InChIKey of 1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine?
The InChIKey is GKOWDJBFDJJEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-4-8(5-2)12-9(13-10)11-6-7-14-3/h8H,4-7,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine?
1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine has a molecular weight of 202.30 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methoxyethyl)-3-pentan-3-ylguanidine is sourced from PubChem (CID 104882852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).