2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine

C20H31N5O — CID 111913060

IUPAC2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
SMILESCCN/C(=N\CC(C)N(C)C1CC1)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H31N5O/c1-4-21-20(22-13-15(2)24(3)17-10-11-17)23-16-12-19(26)25(14-16)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3,(H2,21,22,23)
InChIKeyQFUTZLDCQDFOOM-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.83
Rot. Bonds7

About 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine

2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine (PubChem CID 111913060) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
PubChem CID111913060
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
SMILESCCN/C(=N\CC(C)N(C)C1CC1)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H31N5O/c1-4-21-20(22-13-15(2)24(3)17-10-11-17)23-16-12-19(26)25(14-16)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3,(H2,21,22,23)
InChIKeyQFUTZLDCQDFOOM-UHFFFAOYSA-N
XLogP1.83
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.83
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

2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913338
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913729
1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111913083
1-(1-benzylpiperidin-4-yl)-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine
CID 110987066
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 109405377
1-ethyl-2-[(3-hydroxyphenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111993848
1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111913051
1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913471
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913349
4-[[[ethylamino-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111913351
1-ethyl-2-[(3-nitrophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111912940
3-[[[ethylamino-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methylidene]amino]methyl]benzamide
CID 111913582

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine (CID 111913060) is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine is CCN/C(=N\CC(C)N(C)C1CC1)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The InChIKey is QFUTZLDCQDFOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-4-21-20(22-13-15(2)24(3)17-10-11-17)23-16-12-19(26)25(14-16)18-8-6-5-7-9-18/h5-9,15-17H,4,10-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine has a molecular weight of 357.50 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine is sourced from PubChem (CID 111913060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).