1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine

C11H23N3O2 — CID 62367717

IUPAC1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
SMILESCOCCOCC/N=C(\N)NC1CCCC1
InChIInChI=1S/C11H23N3O2/c1-15-8-9-16-7-6-13-11(12)14-10-4-2-3-5-10/h10H,2-9H2,1H3,(H3,12,13,14)
InChIKeyLQQHADFGUHTCNL-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.50
Rot. Bonds7

About 1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine

1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine (PubChem CID 62367717) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
PubChem CID62367717
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
SMILESCOCCOCC/N=C(\N)NC1CCCC1
InChIInChI=1S/C11H23N3O2/c1-15-8-9-16-7-6-13-11(12)14-10-4-2-3-5-10/h10H,2-9H2,1H3,(H3,12,13,14)
InChIKeyLQQHADFGUHTCNL-UHFFFAOYSA-N
XLogP0.50
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-cyclohexyl-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111671281
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-cyclohexyl-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110957347
1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine
CID 106248106
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine
CID 62406041
N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
CID 62364503
1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine
CID 124628876
1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine
CID 122096356

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine (CID 62367717) is 1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine is COCCOCC/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine?
The InChIKey is LQQHADFGUHTCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-15-8-9-16-7-6-13-11(12)14-10-4-2-3-5-10/h10H,2-9H2,1H3,(H3,12,13,14).
What are the key properties of 1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine?
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine has a molecular weight of 229.32 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine is sourced from PubChem (CID 62367717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).