1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine

C17H26N4 — CID 111923559

IUPAC1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine
SMILESCC/N=C(\NC1CC1)NC1CCN(c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N4/c1-3-18-17(19-14-6-7-14)20-15-10-11-21(12-15)16-8-4-13(2)5-9-16/h4-5,8-9,14-15H,3,6-7,10-12H2,1-2H3,(H2,18,19,20)
InChIKeyLRTJKZBNJHDCBJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.29
Rot. Bonds4

About 1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine

1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine (PubChem CID 111923559) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine
PubChem CID111923559
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine
SMILESCC/N=C(\NC1CC1)NC1CCN(c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N4/c1-3-18-17(19-14-6-7-14)20-15-10-11-21(12-15)16-8-4-13(2)5-9-16/h4-5,8-9,14-15H,3,6-7,10-12H2,1-2H3,(H2,18,19,20)
InChIKeyLRTJKZBNJHDCBJ-UHFFFAOYSA-N
XLogP2.29
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethyl)-1-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine
CID 111923625
1-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]-2-(2-methylsulfonylethyl)guanidine
CID 111923909
1-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111924048
N-cyclohexyl-2-[[ethylamino-[[1-(4-methylphenyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide
CID 111923737
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine
CID 111995405
1-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111924060
1-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111924188
N-[2-[[ethylamino-[[1-(4-methylphenyl)pyrrolidin-3-yl]amino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111924177
1-ethyl-2-[(3-hydroxyphenyl)methyl]-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine
CID 111996957
4-[[[ethylamino-[[1-(4-methylphenyl)pyrrolidin-3-yl]amino]methylidene]amino]methyl]-N-methylbenzamide
CID 111924021
2-methyl-1-(3-methylbutyl)-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111923326
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111923590

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine?
The IUPAC name of 1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine (CID 111923559) is 1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine is CC/N=C(\NC1CC1)NC1CCN(c2ccc(C)cc2)C1.
What is the InChIKey of 1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine?
The InChIKey is LRTJKZBNJHDCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-18-17(19-14-6-7-14)20-15-10-11-21(12-15)16-8-4-13(2)5-9-16/h4-5,8-9,14-15H,3,6-7,10-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine?
1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine has a molecular weight of 286.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine is sourced from PubChem (CID 111923559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).