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

C12H23N3O — CID 62361920

IUPAC2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
SMILESCOCCN(/C(N)=N/C1CC1)C(C)C1CC1
InChIInChI=1S/C12H23N3O/c1-9(10-3-4-10)15(7-8-16-2)12(13)14-11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyPQHIPXCQUIRQRL-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.21
Rot. Bonds6

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

2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine (PubChem CID 62361920) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
PubChem CID62361920
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
SMILESCOCCN(/C(N)=N/C1CC1)C(C)C1CC1
InChIInChI=1S/C12H23N3O/c1-9(10-3-4-10)15(7-8-16-2)12(13)14-11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyPQHIPXCQUIRQRL-UHFFFAOYSA-N
XLogP1.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.21
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 2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine (CID 62361920) is 2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine is COCCN(/C(N)=N/C1CC1)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
The InChIKey is PQHIPXCQUIRQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(10-3-4-10)15(7-8-16-2)12(13)14-11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine has a molecular weight of 225.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 62361920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).