1-(3-hexoxypropyl)-2-methylguanidine

C11H25N3O — CID 23103985

IUPAC1-(3-hexoxypropyl)-2-methylguanidine
SMILESCCCCCCOCCCN/C(N)=N/C
InChIInChI=1S/C11H25N3O/c1-3-4-5-6-9-15-10-7-8-14-11(12)13-2/h3-10H2,1-2H3,(H3,12,13,14)
InChIKeyLZVOEJFQYBELOC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds9

About 1-(3-hexoxypropyl)-2-methylguanidine

1-(3-hexoxypropyl)-2-methylguanidine (PubChem CID 23103985) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3-hexoxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(3-hexoxypropyl)-2-methylguanidine
PubChem CID23103985
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-(3-hexoxypropyl)-2-methylguanidine
SMILESCCCCCCOCCCN/C(N)=N/C
InChIInChI=1S/C11H25N3O/c1-3-4-5-6-9-15-10-7-8-14-11(12)13-2/h3-10H2,1-2H3,(H3,12,13,14)
InChIKeyLZVOEJFQYBELOC-UHFFFAOYSA-N
XLogP1.51
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
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-(3-hexoxypropyl)-2-methylguanidine?
The IUPAC name of 1-(3-hexoxypropyl)-2-methylguanidine (CID 23103985) is 1-(3-hexoxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-(3-hexoxypropyl)-2-methylguanidine?
The canonical SMILES for 1-(3-hexoxypropyl)-2-methylguanidine is CCCCCCOCCCN/C(N)=N/C.
What is the InChIKey of 1-(3-hexoxypropyl)-2-methylguanidine?
The InChIKey is LZVOEJFQYBELOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-3-4-5-6-9-15-10-7-8-14-11(12)13-2/h3-10H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-(3-hexoxypropyl)-2-methylguanidine?
1-(3-hexoxypropyl)-2-methylguanidine has a molecular weight of 215.34 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hexoxypropyl)-2-methylguanidine is sourced from PubChem (CID 23103985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).