1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine

C10H23N3O — CID 62362905

IUPAC1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine
SMILESCOCCCCN/C(N)=N/CC(C)C
InChIInChI=1S/C10H23N3O/c1-9(2)8-13-10(11)12-6-4-5-7-14-3/h9H,4-8H2,1-3H3,(H3,11,12,13)
InChIKeyUKAYODJIMRTOAX-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.97
Rot. Bonds7

About 1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine

1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine (PubChem CID 62362905) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine
PubChem CID62362905
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine
SMILESCOCCCCN/C(N)=N/CC(C)C
InChIInChI=1S/C10H23N3O/c1-9(2)8-13-10(11)12-6-4-5-7-14-3/h9H,4-8H2,1-3H3,(H3,11,12,13)
InChIKeyUKAYODJIMRTOAX-UHFFFAOYSA-N
XLogP0.97
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-methoxybutyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine (CID 62362905) is 1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine is COCCCCN/C(N)=N/CC(C)C.
What is the InChIKey of 1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine?
The InChIKey is UKAYODJIMRTOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-9(2)8-13-10(11)12-6-4-5-7-14-3/h9H,4-8H2,1-3H3,(H3,11,12,13).
What are the key properties of 1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine?
1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine has a molecular weight of 201.31 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62362905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).