N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

C17H30IN3O2 — CID 111994774

IUPACN-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)c1ccco1)N1CCC(CC(C)C)C1.I
InChIInChI=1S/C17H29N3O2.HI/c1-4-18-17(19-11-15(21)16-6-5-9-22-16)20-8-7-14(12-20)10-13(2)3;/h5-6,9,13-15,21H,4,7-8,10-12H2,1-3H3,(H,18,19);1H
InChIKeyZKNYOBQOLQAZRO-UHFFFAOYSA-N
MW435.35 g/mol
LogP3.26
Rot. Bonds6

About N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111994774) has the molecular formula C17H30IN3O2 and a molecular weight of 435.35 g/mol. Its IUPAC name is N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111994774
Molecular FormulaC17H30IN3O2
Molecular Weight435.35 g/mol
Exact Mass435.14
IUPAC NameN-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)c1ccco1)N1CCC(CC(C)C)C1.I
InChIInChI=1S/C17H29N3O2.HI/c1-4-18-17(19-11-15(21)16-6-5-9-22-16)20-8-7-14(12-20)10-13(2)3;/h5-6,9,13-15,21H,4,7-8,10-12H2,1-3H3,(H,18,19);1H
InChIKeyZKNYOBQOLQAZRO-UHFFFAOYSA-N
XLogP3.26
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.26
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'}

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Related Compounds

N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485431
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960934
N-[4-[2-[[ethylamino-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111734950
N-ethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734690
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109488193
4-(2,3-dimethylphenyl)-N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboximidamide;hydroiodide
CID 111238470
N-ethyl-3-(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
CID 111734077
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111153162
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734214
N-ethyl-3-(2-methylpropyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111734024
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318453
N-ethyl-3-(methoxymethyl)-N'-(2-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735704

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111994774) is N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(O)c1ccco1)N1CCC(CC(C)C)C1.I.
What is the InChIKey of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is ZKNYOBQOLQAZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.HI/c1-4-18-17(19-11-15(21)16-6-5-9-22-16)20-8-7-14(12-20)10-13(2)3;/h5-6,9,13-15,21H,4,7-8,10-12H2,1-3H3,(H,18,19);1H.
What are the key properties of N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 435.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111994774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).