1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine

C19H26N4O — CID 111028634

IUPAC1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CC(c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C19H26N4O/c1-2-15-7-9-16(10-8-15)22-19(20)21-14-17(18-6-5-13-24-18)23-11-3-4-12-23/h5-10,13,17H,2-4,11-12,14H2,1H3,(H3,20,21,22)
InChIKeyXFKAXUHEHBTTFZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine

1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine (PubChem CID 111028634) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
PubChem CID111028634
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CC(c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C19H26N4O/c1-2-15-7-9-16(10-8-15)22-19(20)21-14-17(18-6-5-13-24-18)23-11-3-4-12-23/h5-10,13,17H,2-4,11-12,14H2,1H3,(H3,20,21,22)
InChIKeyXFKAXUHEHBTTFZ-UHFFFAOYSA-N
XLogP3.41
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.41
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-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine
CID 110913966
1-(3-ethylphenyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111027456
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111027441
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111028669
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylguanidine
CID 119117303
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-prop-2-enylguanidine
CID 54726546
1-cyclopentyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 119117307
1,1-diethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 111027437
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine
CID 111027418
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136924028
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine
CID 52502154
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111027417

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine (CID 111028634) is 1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine is CCc1ccc(N/C(N)=N/CC(c2ccco2)N2CCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine?
The InChIKey is XFKAXUHEHBTTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-15-7-9-16(10-8-15)22-19(20)21-14-17(18-6-5-13-24-18)23-11-3-4-12-23/h5-10,13,17H,2-4,11-12,14H2,1H3,(H3,20,21,22).
What are the key properties of 1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine?
1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine has a molecular weight of 326.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine is sourced from PubChem (CID 111028634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).