2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine

C11H25N3O — CID 122697524

IUPAC2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine
SMILESCCCOCCN/C(N)=N/CCC(C)C
InChIInChI=1S/C11H25N3O/c1-4-8-15-9-7-14-11(12)13-6-5-10(2)3/h10H,4-9H2,1-3H3,(H3,12,13,14)
InChIKeyACVLAGNAIMGSRJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.36
Rot. Bonds8

About 2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine

2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine (PubChem CID 122697524) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine.

Molecular Properties

Compound Name2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine
PubChem CID122697524
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine
SMILESCCCOCCN/C(N)=N/CCC(C)C
InChIInChI=1S/C11H25N3O/c1-4-8-15-9-7-14-11(12)13-6-5-10(2)3/h10H,4-9H2,1-3H3,(H3,12,13,14)
InChIKeyACVLAGNAIMGSRJ-UHFFFAOYSA-N
XLogP1.36
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.36
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 2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine?
The IUPAC name of 2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine (CID 122697524) is 2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine.
What is the SMILES notation for 2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine?
The canonical SMILES for 2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine is CCCOCCN/C(N)=N/CCC(C)C.
What is the InChIKey of 2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine?
The InChIKey is ACVLAGNAIMGSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-8-15-9-7-14-11(12)13-6-5-10(2)3/h10H,4-9H2,1-3H3,(H3,12,13,14).
What are the key properties of 2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine?
2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine has a molecular weight of 215.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1-(2-propoxyethyl)guanidine is sourced from PubChem (CID 122697524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).