1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine

C12H27N3O — CID 62361466

IUPAC1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine
SMILESCOCCN(CC(C)C)/C(N)=N/CC(C)C
InChIInChI=1S/C12H27N3O/c1-10(2)8-14-12(13)15(6-7-16-5)9-11(3)4/h10-11H,6-9H2,1-5H3,(H2,13,14)
InChIKeyCSKUZIQXCUAIEX-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.56
Rot. Bonds7

About 1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine

1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine (PubChem CID 62361466) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine
PubChem CID62361466
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine
SMILESCOCCN(CC(C)C)/C(N)=N/CC(C)C
InChIInChI=1S/C12H27N3O/c1-10(2)8-14-12(13)15(6-7-16-5)9-11(3)4/h10-11H,6-9H2,1-5H3,(H2,13,14)
InChIKeyCSKUZIQXCUAIEX-UHFFFAOYSA-N
XLogP1.56
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.56
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-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine?
The IUPAC name of 1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine (CID 62361466) is 1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine is COCCN(CC(C)C)/C(N)=N/CC(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine?
The InChIKey is CSKUZIQXCUAIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(2)8-14-12(13)15(6-7-16-5)9-11(3)4/h10-11H,6-9H2,1-5H3,(H2,13,14).
What are the key properties of 1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine?
1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine has a molecular weight of 229.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1,2-bis(2-methylpropyl)guanidine is sourced from PubChem (CID 62361466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).