1,1-diethyl-3,3-dimethylguanidine

C7H17N3 — CID 19087889

IUPAC1,1-diethyl-3,3-dimethylguanidine
SMILES[H]/N=C(\N(C)C)N(CC)CC
InChIInChI=1S/C7H17N3/c1-5-10(6-2)7(8)9(3)4/h8H,5-6H2,1-4H3/b8-7+
InChIKeyKBGKCOIOIFFKEM-BQYQJAHWSA-N
MW143.23 g/mol
LogP0.82
Rot. Bonds2

About 1,1-diethyl-3,3-dimethylguanidine

1,1-diethyl-3,3-dimethylguanidine (PubChem CID 19087889) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,1-diethyl-3,3-dimethylguanidine.

Molecular Properties

Compound Name1,1-diethyl-3,3-dimethylguanidine
PubChem CID19087889
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1,1-diethyl-3,3-dimethylguanidine
SMILES[H]/N=C(\N(C)C)N(CC)CC
InChIInChI=1S/C7H17N3/c1-5-10(6-2)7(8)9(3)4/h8H,5-6H2,1-4H3/b8-7+
InChIKeyKBGKCOIOIFFKEM-BQYQJAHWSA-N
XLogP0.82
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.82
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-diethyl-3,3-dimethylguanidine?
The IUPAC name of 1,1-diethyl-3,3-dimethylguanidine (CID 19087889) is 1,1-diethyl-3,3-dimethylguanidine.
What is the SMILES notation for 1,1-diethyl-3,3-dimethylguanidine?
The canonical SMILES for 1,1-diethyl-3,3-dimethylguanidine is [H]/N=C(\N(C)C)N(CC)CC.
What is the InChIKey of 1,1-diethyl-3,3-dimethylguanidine?
The InChIKey is KBGKCOIOIFFKEM-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H17N3/c1-5-10(6-2)7(8)9(3)4/h8H,5-6H2,1-4H3/b8-7+.
What are the key properties of 1,1-diethyl-3,3-dimethylguanidine?
1,1-diethyl-3,3-dimethylguanidine has a molecular weight of 143.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3,3-dimethylguanidine is sourced from PubChem (CID 19087889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).