1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine

C15H24N4O — CID 106262763

IUPAC1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccccc1CC/N=C(\NN)NC1CCCC1
InChIInChI=1S/C15H24N4O/c1-20-14-9-5-2-6-12(14)10-11-17-15(19-16)18-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11,16H2,1H3,(H2,17,18,19)
InChIKeyDLSLIYFRGGPSAA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.59
Rot. Bonds5

About 1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine

1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine (PubChem CID 106262763) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
PubChem CID106262763
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccccc1CC/N=C(\NN)NC1CCCC1
InChIInChI=1S/C15H24N4O/c1-20-14-9-5-2-6-12(14)10-11-17-15(19-16)18-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11,16H2,1H3,(H2,17,18,19)
InChIKeyDLSLIYFRGGPSAA-UHFFFAOYSA-N
XLogP1.59
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 116515754
1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 116512069
1-cyclopentyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400891
1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine
CID 116512213
N'-[2-(2-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 106262569
1-amino-3-cyclohexyl-2-(2-phenoxyethyl)guanidine
CID 116513778
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748
2-[[(cyclopentylamino)-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111841832
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110913747
1-cyclopropyl-3-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110989120
1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8726213
1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 104887608

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine (CID 106262763) is 1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine is COc1ccccc1CC/N=C(\NN)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The InChIKey is DLSLIYFRGGPSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-20-14-9-5-2-6-12(14)10-11-17-15(19-16)18-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine has a molecular weight of 276.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 106262763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).