1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine

C8H17N3O — CID 62360431

IUPAC1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\N)N(CCOC)C1CC1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11(5-6-12-2)7-3-4-7/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyIQCCCOQLDUDOBH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.04
Rot. Bonds4

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

1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine (PubChem CID 62360431) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine
PubChem CID62360431
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\N)N(CCOC)C1CC1
InChIInChI=1S/C8H17N3O/c1-10-8(9)11(5-6-12-2)7-3-4-7/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyIQCCCOQLDUDOBH-UHFFFAOYSA-N
XLogP0.04
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.04
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-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine (CID 62360431) is 1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine is C/N=C(\N)N(CCOC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is IQCCCOQLDUDOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-8(9)11(5-6-12-2)7-3-4-7/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine?
1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 171.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 62360431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).