1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine

C11H20N6 — CID 116516539

IUPAC1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine
SMILESNN/C(=N\CCc1ncc[nH]1)NC1CCCC1
InChIInChI=1S/C11H20N6/c12-17-11(16-9-3-1-2-4-9)15-6-5-10-13-7-8-14-10/h7-9H,1-6,12H2,(H,13,14)(H2,15,16,17)
InChIKeyVFRPMAJTHWUKKR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.30
Rot. Bonds4

About 1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine

1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine (PubChem CID 116516539) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine
PubChem CID116516539
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine
SMILESNN/C(=N\CCc1ncc[nH]1)NC1CCCC1
InChIInChI=1S/C11H20N6/c12-17-11(16-9-3-1-2-4-9)15-6-5-10-13-7-8-14-10/h7-9H,1-6,12H2,(H,13,14)(H2,15,16,17)
InChIKeyVFRPMAJTHWUKKR-UHFFFAOYSA-N
XLogP0.30
TPSA91.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.30
H-Bond Donors ≤ 54
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-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 104887608
1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 116515754
1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine
CID 116512213
1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 116512069
1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 106424851
1-amino-3-butyl-2-[3-(1H-imidazol-2-yl)propyl]guanidine
CID 116516477
1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 106262763
1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 104886245
1-cyclopropyl-3-[2-(1H-imidazol-2-yl)ethyl]thiourea
CID 116510338
1-amino-3-cyclohexyl-2-(2-phenoxyethyl)guanidine
CID 116513778
1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 116657997
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine (CID 116516539) is 1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine is NN/C(=N\CCc1ncc[nH]1)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine?
The InChIKey is VFRPMAJTHWUKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c12-17-11(16-9-3-1-2-4-9)15-6-5-10-13-7-8-14-10/h7-9H,1-6,12H2,(H,13,14)(H2,15,16,17).
What are the key properties of 1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine?
1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine has a molecular weight of 236.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine is sourced from PubChem (CID 116516539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).