1-(3-methoxypropyl)-2-methyl-3-pentylguanidine

C11H25N3O — CID 110974945

IUPAC1-(3-methoxypropyl)-2-methyl-3-pentylguanidine
SMILESCCCCCN/C(=N\C)NCCCOC
InChIInChI=1S/C11H25N3O/c1-4-5-6-8-13-11(12-2)14-9-7-10-15-3/h4-10H2,1-3H3,(H2,12,13,14)
InChIKeyBLWVOFLODLIBTR-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.38
Rot. Bonds8

About 1-(3-methoxypropyl)-2-methyl-3-pentylguanidine

1-(3-methoxypropyl)-2-methyl-3-pentylguanidine (PubChem CID 110974945) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-methyl-3-pentylguanidine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-methyl-3-pentylguanidine
PubChem CID110974945
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-(3-methoxypropyl)-2-methyl-3-pentylguanidine
SMILESCCCCCN/C(=N\C)NCCCOC
InChIInChI=1S/C11H25N3O/c1-4-5-6-8-13-11(12-2)14-9-7-10-15-3/h4-10H2,1-3H3,(H2,12,13,14)
InChIKeyBLWVOFLODLIBTR-UHFFFAOYSA-N
XLogP1.38
TPSA45.65 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 ≤ 51.38
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-methoxypropyl)-2-methyl-3-pentylguanidine?
The IUPAC name of 1-(3-methoxypropyl)-2-methyl-3-pentylguanidine (CID 110974945) is 1-(3-methoxypropyl)-2-methyl-3-pentylguanidine.
What is the SMILES notation for 1-(3-methoxypropyl)-2-methyl-3-pentylguanidine?
The canonical SMILES for 1-(3-methoxypropyl)-2-methyl-3-pentylguanidine is CCCCCN/C(=N\C)NCCCOC.
What is the InChIKey of 1-(3-methoxypropyl)-2-methyl-3-pentylguanidine?
The InChIKey is BLWVOFLODLIBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-5-6-8-13-11(12-2)14-9-7-10-15-3/h4-10H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(3-methoxypropyl)-2-methyl-3-pentylguanidine?
1-(3-methoxypropyl)-2-methyl-3-pentylguanidine has a molecular weight of 215.34 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-methyl-3-pentylguanidine is sourced from PubChem (CID 110974945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).