2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine

C21H31N5O — CID 111262093

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN1CCCC1C/N=C(/NCCc1ccccn1)NCCc1ccco1
InChIInChI=1S/C21H31N5O/c1-2-26-15-5-8-19(26)17-25-21(24-14-11-20-9-6-16-27-20)23-13-10-18-7-3-4-12-22-18/h3-4,6-7,9,12,16,19H,2,5,8,10-11,13-15,17H2,1H3,(H2,23,24,25)
InChIKeyWKMXCXUMMVQOEE-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.48
Rot. Bonds9

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111262093) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111262093
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN1CCCC1C/N=C(/NCCc1ccccn1)NCCc1ccco1
InChIInChI=1S/C21H31N5O/c1-2-26-15-5-8-19(26)17-25-21(24-14-11-20-9-6-16-27-20)23-13-10-18-7-3-4-12-22-18/h3-4,6-7,9,12,16,19H,2,5,8,10-11,13-15,17H2,1H3,(H2,23,24,25)
InChIKeyWKMXCXUMMVQOEE-UHFFFAOYSA-N
XLogP2.48
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2-ethoxyethyl)-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111842213
1-[2-(6-chloro-3-pyridinyl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110051175
2-(cyclopropylmethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine
CID 111842054
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024722
1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110059681
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110051389
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]guanidine;hydroiodide
CID 110051739
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111491336
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 110053900
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
CID 111354746
4-[[N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxamide;hydroiodide
CID 110055015
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111770058

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine (CID 111262093) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine is CCN1CCCC1C/N=C(/NCCc1ccccn1)NCCc1ccco1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is WKMXCXUMMVQOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-2-26-15-5-8-19(26)17-25-21(24-14-11-20-9-6-16-27-20)23-13-10-18-7-3-4-12-22-18/h3-4,6-7,9,12,16,19H,2,5,8,10-11,13-15,17H2,1H3,(H2,23,24,25).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 369.51 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111262093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).