1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine

C10H21N3O — CID 62358419

IUPAC1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\N)N(CCOC)C(C)C1CC1
InChIInChI=1S/C10H21N3O/c1-8(9-4-5-9)13(6-7-14-3)10(11)12-2/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyHHOLSCDICKHWGY-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.68
Rot. Bonds5

About 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine

1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine (PubChem CID 62358419) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine
PubChem CID62358419
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\N)N(CCOC)C(C)C1CC1
InChIInChI=1S/C10H21N3O/c1-8(9-4-5-9)13(6-7-14-3)10(11)12-2/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyHHOLSCDICKHWGY-UHFFFAOYSA-N
XLogP0.68
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine 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 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine (CID 62358419) is 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine is C/N=C(\N)N(CCOC)C(C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is HHOLSCDICKHWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(9-4-5-9)13(6-7-14-3)10(11)12-2/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine?
1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 62358419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).