1-cyclopropyl-1,2-diethylguanidine

C8H17N3 — CID 62359010

IUPAC1-cyclopropyl-1,2-diethylguanidine
SMILESCC/N=C(\N)N(CC)C1CC1
InChIInChI=1S/C8H17N3/c1-3-10-8(9)11(4-2)7-5-6-7/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyBUUINQDSOCQYQM-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.81
Rot. Bonds3

About 1-cyclopropyl-1,2-diethylguanidine

1-cyclopropyl-1,2-diethylguanidine (PubChem CID 62359010) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1-cyclopropyl-1,2-diethylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-1,2-diethylguanidine
PubChem CID62359010
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1-cyclopropyl-1,2-diethylguanidine
SMILESCC/N=C(\N)N(CC)C1CC1
InChIInChI=1S/C8H17N3/c1-3-10-8(9)11(4-2)7-5-6-7/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyBUUINQDSOCQYQM-UHFFFAOYSA-N
XLogP0.81
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.81
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-cyclopropyl-1,2-diethylguanidine?
The IUPAC name of 1-cyclopropyl-1,2-diethylguanidine (CID 62359010) is 1-cyclopropyl-1,2-diethylguanidine.
What is the SMILES notation for 1-cyclopropyl-1,2-diethylguanidine?
The canonical SMILES for 1-cyclopropyl-1,2-diethylguanidine is CC/N=C(\N)N(CC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1,2-diethylguanidine?
The InChIKey is BUUINQDSOCQYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-10-8(9)11(4-2)7-5-6-7/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 1-cyclopropyl-1,2-diethylguanidine?
1-cyclopropyl-1,2-diethylguanidine has a molecular weight of 155.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1,2-diethylguanidine is sourced from PubChem (CID 62359010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).