2-butyl-1,1-dimethylguanidine

C7H17N3 — CID 55284997

IUPAC2-butyl-1,1-dimethylguanidine
SMILESCCCC/N=C(\N)N(C)C
InChIInChI=1S/C7H17N3/c1-4-5-6-9-7(8)10(2)3/h4-6H2,1-3H3,(H2,8,9)
InChIKeyDTLMTLFPUNNLBY-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.66
Rot. Bonds3

About 2-butyl-1,1-dimethylguanidine

2-butyl-1,1-dimethylguanidine (PubChem CID 55284997) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-butyl-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-butyl-1,1-dimethylguanidine
PubChem CID55284997
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name2-butyl-1,1-dimethylguanidine
SMILESCCCC/N=C(\N)N(C)C
InChIInChI=1S/C7H17N3/c1-4-5-6-9-7(8)10(2)3/h4-6H2,1-3H3,(H2,8,9)
InChIKeyDTLMTLFPUNNLBY-UHFFFAOYSA-N
XLogP0.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-butyl-1,1-dimethylguanidine?
The IUPAC name of 2-butyl-1,1-dimethylguanidine (CID 55284997) is 2-butyl-1,1-dimethylguanidine.
What is the SMILES notation for 2-butyl-1,1-dimethylguanidine?
The canonical SMILES for 2-butyl-1,1-dimethylguanidine is CCCC/N=C(\N)N(C)C.
What is the InChIKey of 2-butyl-1,1-dimethylguanidine?
The InChIKey is DTLMTLFPUNNLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-4-5-6-9-7(8)10(2)3/h4-6H2,1-3H3,(H2,8,9).
What are the key properties of 2-butyl-1,1-dimethylguanidine?
2-butyl-1,1-dimethylguanidine has a molecular weight of 143.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,1-dimethylguanidine is sourced from PubChem (CID 55284997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).