2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine

C13H28N4 — CID 102994219

IUPAC2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
SMILESCCN(CC)CCCN(CC)/C(N)=N/C1CC1
InChIInChI=1S/C13H28N4/c1-4-16(5-2)10-7-11-17(6-3)13(14)15-12-8-9-12/h12H,4-11H2,1-3H3,(H2,14,15)
InChIKeyJFYRNWASYPEBGR-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.52
Rot. Bonds8

About 2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine

2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine (PubChem CID 102994219) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
PubChem CID102994219
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
SMILESCCN(CC)CCCN(CC)/C(N)=N/C1CC1
InChIInChI=1S/C13H28N4/c1-4-16(5-2)10-7-11-17(6-3)13(14)15-12-8-9-12/h12H,4-11H2,1-3H3,(H2,14,15)
InChIKeyJFYRNWASYPEBGR-UHFFFAOYSA-N
XLogP1.52
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The IUPAC name of 2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine (CID 102994219) is 2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine.
What is the SMILES notation for 2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The canonical SMILES for 2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine is CCN(CC)CCCN(CC)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
The InChIKey is JFYRNWASYPEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-4-16(5-2)10-7-11-17(6-3)13(14)15-12-8-9-12/h12H,4-11H2,1-3H3,(H2,14,15).
What are the key properties of 2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine?
2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine has a molecular weight of 240.39 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine is sourced from PubChem (CID 102994219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).