1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine

C11H25N3O2 — CID 62362348

IUPAC1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine
SMILESCOCCCN(CCOC)/C(N)=N/C(C)C
InChIInChI=1S/C11H25N3O2/c1-10(2)13-11(12)14(7-9-16-4)6-5-8-15-3/h10H,5-9H2,1-4H3,(H2,12,13)
InChIKeyZKWSFFPZIJZJLR-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.69
Rot. Bonds8

About 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine

1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine (PubChem CID 62362348) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine
PubChem CID62362348
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine
SMILESCOCCCN(CCOC)/C(N)=N/C(C)C
InChIInChI=1S/C11H25N3O2/c1-10(2)13-11(12)14(7-9-16-4)6-5-8-15-3/h10H,5-9H2,1-4H3,(H2,12,13)
InChIKeyZKWSFFPZIJZJLR-UHFFFAOYSA-N
XLogP0.69
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-methoxypropyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine (CID 62362348) is 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine is COCCCN(CCOC)/C(N)=N/C(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine?
The InChIKey is ZKWSFFPZIJZJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-10(2)13-11(12)14(7-9-16-4)6-5-8-15-3/h10H,5-9H2,1-4H3,(H2,12,13).
What are the key properties of 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine?
1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine has a molecular weight of 231.34 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 62362348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).