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

C17H29N3O2 — CID 110061520

IUPACN-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCC(C)C/N=C(\NCCc1ccco1)N1CCC(C(C)O)C1
InChIInChI=1S/C17H29N3O2/c1-13(2)11-19-17(18-8-6-16-5-4-10-22-16)20-9-7-15(12-20)14(3)21/h4-5,10,13-15,21H,6-9,11-12H2,1-3H3,(H,18,19)
InChIKeyDNUTYVOQXMLDLF-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.13
Rot. Bonds6

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

N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide (PubChem CID 110061520) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
PubChem CID110061520
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCC(C)C/N=C(\NCCc1ccco1)N1CCC(C(C)O)C1
InChIInChI=1S/C17H29N3O2/c1-13(2)11-19-17(18-8-6-16-5-4-10-22-16)20-9-7-15(12-20)14(3)21/h4-5,10,13-15,21H,6-9,11-12H2,1-3H3,(H,18,19)
InChIKeyDNUTYVOQXMLDLF-UHFFFAOYSA-N
XLogP2.13
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.13
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

N'-butyl-N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110061505
N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110061541
N-[2-(furan-2-yl)ethyl]-N'-(2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056202
N-[2-(furan-2-yl)ethyl]-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 110053396
N-[2-(furan-2-yl)ethyl]-N'-(2-methylpropyl)-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057347
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-propylpyrrolidine-1-carboximidamide;hydroiodide
CID 110056319
N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide
CID 110056132
2-[[[2-(furan-2-yl)ethylamino]-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110053298
3-benzyl-N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 110054764
N-[2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726239
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 110057565
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 N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide (CID 110061520) is N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide is CC(C)C/N=C(\NCCc1ccco1)N1CCC(C(C)O)C1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The InChIKey is DNUTYVOQXMLDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)11-19-17(18-8-6-16-5-4-10-22-16)20-9-7-15(12-20)14(3)21/h4-5,10,13-15,21H,6-9,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide has a molecular weight of 307.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-(1-hydroxyethyl)-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110061520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).