1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine

C13H23N5 — CID 110991931

IUPAC1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
SMILESCCN/C(=N\CCn1ccnc1)NC1CCCC1
InChIInChI=1S/C13H23N5/c1-2-15-13(17-12-5-3-4-6-12)16-8-10-18-9-7-14-11-18/h7,9,11-12H,2-6,8,10H2,1H3,(H2,15,16,17)
InChIKeyHZWUBCFTXOGFDJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.38
Rot. Bonds5

About 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine

1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine (PubChem CID 110991931) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
PubChem CID110991931
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
SMILESCCN/C(=N\CCn1ccnc1)NC1CCCC1
InChIInChI=1S/C13H23N5/c1-2-15-13(17-12-5-3-4-6-12)16-8-10-18-9-7-14-11-18/h7,9,11-12H,2-6,8,10H2,1H3,(H2,15,16,17)
InChIKeyHZWUBCFTXOGFDJ-UHFFFAOYSA-N
XLogP1.38
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930
1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110958682
1-ethyl-2-(2-imidazol-1-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318591
1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 110991929
1-cyano-3-cyclooctyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 24858984
1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 119117343
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 111924989
1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110958079
1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110945365
1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine
CID 62362892
N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927137
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine (CID 110991931) is 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine is CCN/C(=N\CCn1ccnc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine?
The InChIKey is HZWUBCFTXOGFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-15-13(17-12-5-3-4-6-12)16-8-10-18-9-7-14-11-18/h7,9,11-12H,2-6,8,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine?
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine has a molecular weight of 249.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine is sourced from PubChem (CID 110991931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).