1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine

C12H25N3O — CID 62361698

IUPAC1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine
SMILESCOCCN(/C(N)=N/C(C)C)C(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-9(2)14-12(13)15(7-8-16-4)10(3)11-5-6-11/h9-11H,5-8H2,1-4H3,(H2,13,14)
InChIKeyVMRWVNOTXYYLHP-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.46
Rot. Bonds6

About 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine

1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine (PubChem CID 62361698) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine
PubChem CID62361698
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine
SMILESCOCCN(/C(N)=N/C(C)C)C(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-9(2)14-12(13)15(7-8-16-4)10(3)11-5-6-11/h9-11H,5-8H2,1-4H3,(H2,13,14)
InChIKeyVMRWVNOTXYYLHP-UHFFFAOYSA-N
XLogP1.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.46
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine (CID 62361698) is 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine is COCCN(/C(N)=N/C(C)C)C(C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine?
The InChIKey is VMRWVNOTXYYLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)14-12(13)15(7-8-16-4)10(3)11-5-6-11/h9-11H,5-8H2,1-4H3,(H2,13,14).
What are the key properties of 1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine?
1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine has a molecular weight of 227.35 g/mol, XLogP of 1.46, 6 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-propan-2-ylguanidine is sourced from PubChem (CID 62361698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).