2-ethyl-1-(2-methoxycyclopentyl)guanidine

C9H19N3O — CID 62364187

IUPAC2-ethyl-1-(2-methoxycyclopentyl)guanidine
SMILESCC/N=C(\N)NC1CCCC1OC
InChIInChI=1S/C9H19N3O/c1-3-11-9(10)12-7-5-4-6-8(7)13-2/h7-8H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyHEQSTSZJWNCIGD-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.48
Rot. Bonds3

About 2-ethyl-1-(2-methoxycyclopentyl)guanidine

2-ethyl-1-(2-methoxycyclopentyl)guanidine (PubChem CID 62364187) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxycyclopentyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxycyclopentyl)guanidine
PubChem CID62364187
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-ethyl-1-(2-methoxycyclopentyl)guanidine
SMILESCC/N=C(\N)NC1CCCC1OC
InChIInChI=1S/C9H19N3O/c1-3-11-9(10)12-7-5-4-6-8(7)13-2/h7-8H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyHEQSTSZJWNCIGD-UHFFFAOYSA-N
XLogP0.48
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.48
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 2-ethyl-1-(2-methoxycyclopentyl)guanidine 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-ethyl-1-(2-methoxycyclopentyl)guanidine?
The IUPAC name of 2-ethyl-1-(2-methoxycyclopentyl)guanidine (CID 62364187) is 2-ethyl-1-(2-methoxycyclopentyl)guanidine.
What is the SMILES notation for 2-ethyl-1-(2-methoxycyclopentyl)guanidine?
The canonical SMILES for 2-ethyl-1-(2-methoxycyclopentyl)guanidine is CC/N=C(\N)NC1CCCC1OC.
What is the InChIKey of 2-ethyl-1-(2-methoxycyclopentyl)guanidine?
The InChIKey is HEQSTSZJWNCIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-11-9(10)12-7-5-4-6-8(7)13-2/h7-8H,3-6H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-ethyl-1-(2-methoxycyclopentyl)guanidine?
2-ethyl-1-(2-methoxycyclopentyl)guanidine has a molecular weight of 185.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methoxycyclopentyl)guanidine is sourced from PubChem (CID 62364187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).