1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine

C17H28N4 — CID 110924778

IUPAC1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCNC(=NCC(c1ccccc1)N1CCCC1)NCC
InChIInChI=1S/C17H28N4/c1-3-18-17(19-4-2)20-14-16(21-12-8-9-13-21)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H2,18,19,20)
InChIKeyKDVAVGRFNTZIIG-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.40
Rot. Bonds6

About 1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine

1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 110924778) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID110924778
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCNC(=NCC(c1ccccc1)N1CCCC1)NCC
InChIInChI=1S/C17H28N4/c1-3-18-17(19-4-2)20-14-16(21-12-8-9-13-21)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H2,18,19,20)
InChIKeyKDVAVGRFNTZIIG-UHFFFAOYSA-N
XLogP2.40
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[2-[[N-ethyl-N'-(2-phenyl-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111326122
1-[4-(diethylamino)butyl]-3-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326545
1-ethyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326583
1-ethyl-3-[4-(4-methylpiperazin-1-yl)butyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111326074
1-(4-ethoxybutyl)-3-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111325893
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111325999
1-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316979
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111326006
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111830558
1-[3-(benzenesulfonyl)propyl]-3-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111325901
1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111765804
1-ethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111795906

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine (CID 110924778) is 1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine is CCNC(=NCC(c1ccccc1)N1CCCC1)NCC.
What is the InChIKey of 1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is KDVAVGRFNTZIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-18-17(19-4-2)20-14-16(21-12-8-9-13-21)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H2,18,19,20).
What are the key properties of 1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 288.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 110924778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).