N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

C16H27IN4O2 — CID 120661071

IUPACN'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(c2ccco2)N2CCCC2)CCO1.I
InChIInChI=1S/C16H26N4O2.HI/c1-13-12-20(8-10-21-13)16(17)18-11-14(15-5-4-9-22-15)19-6-2-3-7-19;/h4-5,9,13-14H,2-3,6-8,10-12H2,1H3,(H2,17,18);1H
InChIKeyBPGNCTXZFXQUQW-UHFFFAOYSA-N
MW434.32 g/mol
LogP2.07
Rot. Bonds4

About N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 120661071) has the molecular formula C16H27IN4O2 and a molecular weight of 434.32 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
PubChem CID120661071
Molecular FormulaC16H27IN4O2
Molecular Weight434.32 g/mol
Exact Mass434.12
IUPAC NameN'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(c2ccco2)N2CCCC2)CCO1.I
InChIInChI=1S/C16H26N4O2.HI/c1-13-12-20(8-10-21-13)16(17)18-11-14(15-5-4-9-22-15)19-6-2-3-7-19;/h4-5,9,13-14H,2-3,6-8,10-12H2,1H3,(H2,17,18);1H
InChIKeyBPGNCTXZFXQUQW-UHFFFAOYSA-N
XLogP2.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661059
2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
CID 120661078
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111027441
N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117242
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117305
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;hydroiodide
CID 111027417
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111028642
1-cyclopentyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 119117307
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine
CID 111027418
N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide
CID 120661302
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111028674

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (CID 120661071) is N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CC(c2ccco2)N2CCCC2)CCO1.I.
What is the InChIKey of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is BPGNCTXZFXQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.HI/c1-13-12-20(8-10-21-13)16(17)18-11-14(15-5-4-9-22-15)19-6-2-3-7-19;/h4-5,9,13-14H,2-3,6-8,10-12H2,1H3,(H2,17,18);1H.
What are the key properties of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 434.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).