2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine

C9H20N4O — CID 77054010

IUPAC2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
SMILESCOCCN(C(N)=NN)C(C)C1CC1
InChIInChI=1S/C9H20N4O/c1-7(8-3-4-8)13(5-6-14-2)9(10)12-11/h7-8H,3-6,11H2,1-2H3,(H2,10,12)
InChIKeyBDTQYXNETGPQLZ-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.08
Rot. Bonds5

About 2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine

2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine (PubChem CID 77054010) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
PubChem CID77054010
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
SMILESCOCCN(C(N)=NN)C(C)C1CC1
InChIInChI=1S/C9H20N4O/c1-7(8-3-4-8)13(5-6-14-2)9(10)12-11/h7-8H,3-6,11H2,1-2H3,(H2,10,12)
InChIKeyBDTQYXNETGPQLZ-UHFFFAOYSA-N
XLogP-0.08
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine (CID 77054010) is 2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine is COCCN(C(N)=NN)C(C)C1CC1.
What is the InChIKey of 2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
The InChIKey is BDTQYXNETGPQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-7(8-3-4-8)13(5-6-14-2)9(10)12-11/h7-8H,3-6,11H2,1-2H3,(H2,10,12).
What are the key properties of 2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 77054010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).