1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine

C13H28N4 — CID 110991153

IUPAC1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine
SMILESCCN(CC)CCN/C(=N\C)NC1CCCC1
InChIInChI=1S/C13H28N4/c1-4-17(5-2)11-10-15-13(14-3)16-12-8-6-7-9-12/h12H,4-11H2,1-3H3,(H2,14,15,16)
InChIKeyNEZLZJQDPAQDDV-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.44
Rot. Bonds6

About 1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine

1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine (PubChem CID 110991153) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine
PubChem CID110991153
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine
SMILESCCN(CC)CCN/C(=N\C)NC1CCCC1
InChIInChI=1S/C13H28N4/c1-4-17(5-2)11-10-15-13(14-3)16-12-8-6-7-9-12/h12H,4-11H2,1-3H3,(H2,14,15,16)
InChIKeyNEZLZJQDPAQDDV-UHFFFAOYSA-N
XLogP1.44
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine
CID 111779651
1-cyclopentyl-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110992105
1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine
CID 110959303
1-cyclopentyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111833888
1-[2-(azepan-1-yl)ethyl]-3-cyclopentyl-2-methylguanidine
CID 110990169
1-cyclopentyl-3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110989912
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine
CID 110958537
1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110958480
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110958536
1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine
CID 110956986
1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 110991929
1-cyclopentyl-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
CID 119116708

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine (CID 110991153) is 1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine is CCN(CC)CCN/C(=N\C)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine?
The InChIKey is NEZLZJQDPAQDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-4-17(5-2)11-10-15-13(14-3)16-12-8-6-7-9-12/h12H,4-11H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine?
1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine has a molecular weight of 240.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine is sourced from PubChem (CID 110991153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).