2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine

C22H37N5 — CID 111390149

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)NCCCN(CC)c1ccccc1
InChIInChI=1S/C22H37N5/c1-3-23-22(25-17-19-13-16-27(18-19)21-11-12-21)24-14-8-15-26(4-2)20-9-6-5-7-10-20/h5-7,9-10,19,21H,3-4,8,11-18H2,1-2H3,(H2,23,24,25)
InChIKeyGSDHPKKPNNSGIC-UHFFFAOYSA-N
MW371.57 g/mol
LogP2.94
Rot. Bonds10

About 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine

2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine (PubChem CID 111390149) has the molecular formula C22H37N5 and a molecular weight of 371.57 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine
PubChem CID111390149
Molecular FormulaC22H37N5
Molecular Weight371.57 g/mol
Exact Mass371.30
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)NCCCN(CC)c1ccccc1
InChIInChI=1S/C22H37N5/c1-3-23-22(25-17-19-13-16-27(18-19)21-11-12-21)24-14-8-15-26(4-2)20-9-6-5-7-10-20/h5-7,9-10,19,21H,3-4,8,11-18H2,1-2H3,(H2,23,24,25)
InChIKeyGSDHPKKPNNSGIC-UHFFFAOYSA-N
XLogP2.94
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 52.94
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'}

Analyze 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]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-[(1,1-dioxothiolan-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine;hydroiodide
CID 111390118
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005962
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111350076
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(4-fluorophenyl)sulfanylpropyl]guanidine
CID 111310954
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
CID 111390105
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111894435
1-[2-(4-chlorophenyl)sulfanylethyl]-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine
CID 111372049
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111389814
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111416081
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine
CID 111390079
1-[(1-benzylpyrrolidin-2-yl)methyl]-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111583131
N-[2-[[N-ethyl-N'-[3-(N-ethylanilino)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111390111

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine (CID 111390149) is 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine is CCN/C(=N\CC1CCN(C2CC2)C1)NCCCN(CC)c1ccccc1.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine?
The InChIKey is GSDHPKKPNNSGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5/c1-3-23-22(25-17-19-13-16-27(18-19)21-11-12-21)24-14-8-15-26(4-2)20-9-6-5-7-10-20/h5-7,9-10,19,21H,3-4,8,11-18H2,1-2H3,(H2,23,24,25).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine?
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine has a molecular weight of 371.57 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine is sourced from PubChem (CID 111390149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).