3-amino-1-cyclopropyl-1,2-diethylguanidine

C8H18N4 — CID 104883636

IUPAC3-amino-1-cyclopropyl-1,2-diethylguanidine
SMILESCC/N=C(\NN)N(CC)C1CC1
InChIInChI=1S/C8H18N4/c1-3-10-8(11-9)12(4-2)7-5-6-7/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyQOKYMHJFVUVJAH-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.31
Rot. Bonds3

About 3-amino-1-cyclopropyl-1,2-diethylguanidine

3-amino-1-cyclopropyl-1,2-diethylguanidine (PubChem CID 104883636) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-1,2-diethylguanidine.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-1,2-diethylguanidine
PubChem CID104883636
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name3-amino-1-cyclopropyl-1,2-diethylguanidine
SMILESCC/N=C(\NN)N(CC)C1CC1
InChIInChI=1S/C8H18N4/c1-3-10-8(11-9)12(4-2)7-5-6-7/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyQOKYMHJFVUVJAH-UHFFFAOYSA-N
XLogP0.31
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-1,2-diethylguanidine?
The IUPAC name of 3-amino-1-cyclopropyl-1,2-diethylguanidine (CID 104883636) is 3-amino-1-cyclopropyl-1,2-diethylguanidine.
What is the SMILES notation for 3-amino-1-cyclopropyl-1,2-diethylguanidine?
The canonical SMILES for 3-amino-1-cyclopropyl-1,2-diethylguanidine is CC/N=C(\NN)N(CC)C1CC1.
What is the InChIKey of 3-amino-1-cyclopropyl-1,2-diethylguanidine?
The InChIKey is QOKYMHJFVUVJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-3-10-8(11-9)12(4-2)7-5-6-7/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-1-cyclopropyl-1,2-diethylguanidine?
3-amino-1-cyclopropyl-1,2-diethylguanidine has a molecular weight of 170.26 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-1,2-diethylguanidine is sourced from PubChem (CID 104883636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).