1-tert-butyl-2-(5-methoxypentyl)guanidine

C11H25N3O — CID 103646401

IUPAC1-tert-butyl-2-(5-methoxypentyl)guanidine
SMILESCOCCCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H25N3O/c1-11(2,3)14-10(12)13-8-6-5-7-9-15-4/h5-9H2,1-4H3,(H3,12,13,14)
InChIKeyGGVWGJCYUDKMOW-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds6

About 1-tert-butyl-2-(5-methoxypentyl)guanidine

1-tert-butyl-2-(5-methoxypentyl)guanidine (PubChem CID 103646401) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-tert-butyl-2-(5-methoxypentyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(5-methoxypentyl)guanidine
PubChem CID103646401
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-tert-butyl-2-(5-methoxypentyl)guanidine
SMILESCOCCCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H25N3O/c1-11(2,3)14-10(12)13-8-6-5-7-9-15-4/h5-9H2,1-4H3,(H3,12,13,14)
InChIKeyGGVWGJCYUDKMOW-UHFFFAOYSA-N
XLogP1.51
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

methyl 7-[[amino-(tert-butylamino)methylidene]amino]heptanoate
CID 111040535
1-amino-2-(4-methoxybutyl)guanidine
CID 64866664
methyl 6-[[amino-(tert-butylamino)methylidene]amino]hexanoate;hydroiodide
CID 111029119
1-tert-butyl-2-[7-(dimethylamino)heptyl]guanidine;hydroiodide
CID 111084886
N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide
CID 63177169
ethyl 7-[[amino-(tert-butylamino)methylidene]amino]heptanoate
CID 111072905
1-tert-butyl-2-(4-phenylmethoxybutyl)guanidine
CID 111093625
2-(5-methoxypentyl)-1-octylguanidine
CID 111087564
1-tert-butyl-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111035627
2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide
CID 110912093
1-tert-butyl-2-(3-phenoxypropyl)guanidine
CID 55068831

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(5-methoxypentyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(5-methoxypentyl)guanidine (CID 103646401) is 1-tert-butyl-2-(5-methoxypentyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(5-methoxypentyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(5-methoxypentyl)guanidine is COCCCCC/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(5-methoxypentyl)guanidine?
The InChIKey is GGVWGJCYUDKMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-11(2,3)14-10(12)13-8-6-5-7-9-15-4/h5-9H2,1-4H3,(H3,12,13,14).
What are the key properties of 1-tert-butyl-2-(5-methoxypentyl)guanidine?
1-tert-butyl-2-(5-methoxypentyl)guanidine has a molecular weight of 215.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(5-methoxypentyl)guanidine is sourced from PubChem (CID 103646401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).