1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide

C19H31IN4O — CID 110059681

IUPAC1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
SMILESCCN1CCCC1C/N=C(\NCCc1ccco1)NC1CC=CC1.I
InChIInChI=1S/C19H30N4O.HI/c1-2-23-13-5-9-17(23)15-21-19(22-16-7-3-4-8-16)20-12-11-18-10-6-14-24-18;/h3-4,6,10,14,16-17H,2,5,7-9,11-13,15H2,1H3,(H2,20,21,22);1H
InChIKeyIPTVMNMOTDQHKP-UHFFFAOYSA-N
MW458.39 g/mol
LogP3.18
Rot. Bonds7

About 1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide

1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 110059681) has the molecular formula C19H31IN4O and a molecular weight of 458.39 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
PubChem CID110059681
Molecular FormulaC19H31IN4O
Molecular Weight458.39 g/mol
Exact Mass458.15
IUPAC Name1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
SMILESCCN1CCCC1C/N=C(\NCCc1ccco1)NC1CC=CC1.I
InChIInChI=1S/C19H30N4O.HI/c1-2-23-13-5-9-17(23)15-21-19(22-16-7-3-4-8-16)20-12-11-18-10-6-14-24-18;/h3-4,6,10,14,16-17H,2,5,7-9,11-13,15H2,1H3,(H2,20,21,22);1H
InChIKeyIPTVMNMOTDQHKP-UHFFFAOYSA-N
XLogP3.18
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 53.18
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[[N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxamide;hydroiodide
CID 110055015
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine;hydroiodide
CID 110055083
1-(2-ethoxyethyl)-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111842213
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine;hydroiodide
CID 110055501
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]guanidine;hydroiodide
CID 110051739
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110051389
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-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111262093
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109392509
1-[2-(6-chloro-3-pyridinyl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110051175
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 110053900
1-cyclopent-3-en-1-yl-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110059677

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide (CID 110059681) is 1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide is CCN1CCCC1C/N=C(\NCCc1ccco1)NC1CC=CC1.I.
What is the InChIKey of 1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is IPTVMNMOTDQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.HI/c1-2-23-13-5-9-17(23)15-21-19(22-16-7-3-4-8-16)20-12-11-18-10-6-14-24-18;/h3-4,6,10,14,16-17H,2,5,7-9,11-13,15H2,1H3,(H2,20,21,22);1H.
What are the key properties of 1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 458.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110059681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).