1-(3-butoxypropyl)-2,3-dimethylguanidine

C10H23N3O — CID 110914191

IUPAC1-(3-butoxypropyl)-2,3-dimethylguanidine
SMILESCCCCOCCCN/C(=N/C)NC
InChIInChI=1S/C10H23N3O/c1-4-5-8-14-9-6-7-13-10(11-2)12-3/h4-9H2,1-3H3,(H2,11,12,13)
InChIKeyQDSJNEYCDLFHHS-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.99
Rot. Bonds7

About 1-(3-butoxypropyl)-2,3-dimethylguanidine

1-(3-butoxypropyl)-2,3-dimethylguanidine (PubChem CID 110914191) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(3-butoxypropyl)-2,3-dimethylguanidine
PubChem CID110914191
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-(3-butoxypropyl)-2,3-dimethylguanidine
SMILESCCCCOCCCN/C(=N/C)NC
InChIInChI=1S/C10H23N3O/c1-4-5-8-14-9-6-7-13-10(11-2)12-3/h4-9H2,1-3H3,(H2,11,12,13)
InChIKeyQDSJNEYCDLFHHS-UHFFFAOYSA-N
XLogP0.99
TPSA45.65 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 ≤ 50.99
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

1-[2-(2-butoxyethoxy)ethyl]-3-(3-butoxypropyl)-2-methylguanidine;hydroiodide
CID 111499418
1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111240887
1-(3-butoxypropyl)-3-(2-ethoxyethyl)-2-methylguanidine
CID 111239303
1-(3-butoxypropyl)-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111238925
1-(3-butoxypropyl)-2-methyl-3-prop-2-ynylguanidine
CID 111239541
1-(3-butoxypropyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111239728
1-butan-2-yl-3-(3-butoxypropyl)-2-methylguanidine
CID 110944688
1-butyl-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111150615
1-(3-butoxypropyl)-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 111239895
N-[2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111239506
1-(3-butoxypropyl)-2-methyl-3-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111239894
1-(3-butoxypropyl)-2-methylguanidine
CID 23103881

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(3-butoxypropyl)-2,3-dimethylguanidine (CID 110914191) is 1-(3-butoxypropyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(3-butoxypropyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(3-butoxypropyl)-2,3-dimethylguanidine is CCCCOCCCN/C(=N/C)NC.
What is the InChIKey of 1-(3-butoxypropyl)-2,3-dimethylguanidine?
The InChIKey is QDSJNEYCDLFHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-5-8-14-9-6-7-13-10(11-2)12-3/h4-9H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-(3-butoxypropyl)-2,3-dimethylguanidine?
1-(3-butoxypropyl)-2,3-dimethylguanidine has a molecular weight of 201.31 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-2,3-dimethylguanidine is sourced from PubChem (CID 110914191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).