1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine

C12H23N5 — CID 111228481

IUPAC1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCCn1ccnc1
InChIInChI=1S/C12H23N5/c1-3-6-15-12(14-4-2)16-7-5-9-17-10-8-13-11-17/h8,10-11H,3-7,9H2,1-2H3,(H2,14,15,16)
InChIKeyLPAYVXHRPSZWMF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.24
Rot. Bonds7

About 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine

1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine (PubChem CID 111228481) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
PubChem CID111228481
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCCn1ccnc1
InChIInChI=1S/C12H23N5/c1-3-6-15-12(14-4-2)16-7-5-9-17-10-8-13-11-17/h8,10-11H,3-7,9H2,1-2H3,(H2,14,15,16)
InChIKeyLPAYVXHRPSZWMF-UHFFFAOYSA-N
XLogP1.24
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.24
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-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111160602
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110975814
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 111393055
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111928579
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 111197354
1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine
CID 111386093
1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(3-imidazol-1-ylpropyl)guanidine;hydroiodide
CID 111956534
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(3-imidazol-1-ylpropyl)guanidine
CID 109417756
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(3-imidazol-1-ylpropyl)guanidine
CID 111877809
tert-butyl N-[3-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111886454
1-ethyl-2-(3-imidazol-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194497
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401338

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine?
The IUPAC name of 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine (CID 111228481) is 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine.
What is the SMILES notation for 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine?
The canonical SMILES for 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine is CCC/N=C(\NCC)NCCCn1ccnc1.
What is the InChIKey of 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine?
The InChIKey is LPAYVXHRPSZWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-6-15-12(14-4-2)16-7-5-9-17-10-8-13-11-17/h8,10-11H,3-7,9H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine?
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine has a molecular weight of 237.35 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine is sourced from PubChem (CID 111228481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).