1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine

C10H23N3O — CID 62358418

IUPAC1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine
SMILESCCC(CC)N(CCOC)/C(N)=N/C
InChIInChI=1S/C10H23N3O/c1-5-9(6-2)13(7-8-14-4)10(11)12-3/h9H,5-8H2,1-4H3,(H2,11,12)
InChIKeyFMCCKEZLBSTLOS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.07
Rot. Bonds6

About 1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine

1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine (PubChem CID 62358418) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine
PubChem CID62358418
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine
SMILESCCC(CC)N(CCOC)/C(N)=N/C
InChIInChI=1S/C10H23N3O/c1-5-9(6-2)13(7-8-14-4)10(11)12-3/h9H,5-8H2,1-4H3,(H2,11,12)
InChIKeyFMCCKEZLBSTLOS-UHFFFAOYSA-N
XLogP1.07
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.07
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)-2-methyl-1-pentan-3-ylguanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine (CID 62358418) is 1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine is CCC(CC)N(CCOC)/C(N)=N/C.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine?
The InChIKey is FMCCKEZLBSTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-9(6-2)13(7-8-14-4)10(11)12-3/h9H,5-8H2,1-4H3,(H2,11,12).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine?
1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine has a molecular weight of 201.31 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine is sourced from PubChem (CID 62358418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).