1,1-dibutyl-3,3-dimethylguanidine

C11H25N3 — CID 86090035

IUPAC1,1-dibutyl-3,3-dimethylguanidine
SMILES[H]/N=C(\N(C)C)N(CCCC)CCCC
InChIInChI=1S/C11H25N3/c1-5-7-9-14(10-8-6-2)11(12)13(3)4/h12H,5-10H2,1-4H3/b12-11+
InChIKeyQHRGCSLHJLHKDF-VAWYXSNFSA-N
MW199.34 g/mol
LogP2.38
Rot. Bonds6

About 1,1-dibutyl-3,3-dimethylguanidine

1,1-dibutyl-3,3-dimethylguanidine (PubChem CID 86090035) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1,1-dibutyl-3,3-dimethylguanidine.

Molecular Properties

Compound Name1,1-dibutyl-3,3-dimethylguanidine
PubChem CID86090035
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1,1-dibutyl-3,3-dimethylguanidine
SMILES[H]/N=C(\N(C)C)N(CCCC)CCCC
InChIInChI=1S/C11H25N3/c1-5-7-9-14(10-8-6-2)11(12)13(3)4/h12H,5-10H2,1-4H3/b12-11+
InChIKeyQHRGCSLHJLHKDF-VAWYXSNFSA-N
XLogP2.38
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1,1-dibutyl-3,3-dimethylguanidine?
The IUPAC name of 1,1-dibutyl-3,3-dimethylguanidine (CID 86090035) is 1,1-dibutyl-3,3-dimethylguanidine.
What is the SMILES notation for 1,1-dibutyl-3,3-dimethylguanidine?
The canonical SMILES for 1,1-dibutyl-3,3-dimethylguanidine is [H]/N=C(\N(C)C)N(CCCC)CCCC.
What is the InChIKey of 1,1-dibutyl-3,3-dimethylguanidine?
The InChIKey is QHRGCSLHJLHKDF-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H25N3/c1-5-7-9-14(10-8-6-2)11(12)13(3)4/h12H,5-10H2,1-4H3/b12-11+.
What are the key properties of 1,1-dibutyl-3,3-dimethylguanidine?
1,1-dibutyl-3,3-dimethylguanidine has a molecular weight of 199.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3,3-dimethylguanidine is sourced from PubChem (CID 86090035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).