N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide

C18H33IN4O2 — CID 110060781

IUPACN-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccco1)N1CC(C)N(CCOC)C(C)C1.I
InChIInChI=1S/C18H32N4O2.HI/c1-5-19-18(20-9-8-17-7-6-11-24-17)21-13-15(2)22(10-12-23-4)16(3)14-21;/h6-7,11,15-16H,5,8-10,12-14H2,1-4H3,(H,19,20);1H
InChIKeySSGNUSPQCCBGDY-UHFFFAOYSA-N
MW464.39 g/mol
LogP2.45
Rot. Bonds7

About N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110060781) has the molecular formula C18H33IN4O2 and a molecular weight of 464.39 g/mol. Its IUPAC name is N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110060781
Molecular FormulaC18H33IN4O2
Molecular Weight464.39 g/mol
Exact Mass464.16
IUPAC NameN-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccco1)N1CC(C)N(CCOC)C(C)C1.I
InChIInChI=1S/C18H32N4O2.HI/c1-5-19-18(20-9-8-17-7-6-11-24-17)21-13-15(2)22(10-12-23-4)16(3)14-21;/h6-7,11,15-16H,5,8-10,12-14H2,1-4H3,(H,19,20);1H
InChIKeySSGNUSPQCCBGDY-UHFFFAOYSA-N
XLogP2.45
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 52.45
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'-(3-ethoxypropyl)-N-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide
CID 110060790
4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111958661
N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide
CID 111363350
N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443412
N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111143765
N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449925
4-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide
CID 111419615
2-[4-[N-ethyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 111366625
N'-[2-(furan-2-yl)ethyl]-4-[3-[2-methoxyethyl(methyl)amino]propyl]-N-prop-2-enylpiperidine-1-carboximidamide;hydroiodide
CID 136727227
3-benzyl-N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)pyrrolidine-1-carboximidamide
CID 110054764
N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111541433
N'-[2-(furan-2-yl)ethyl]-4-methyl-N-propan-2-ylpiperidine-1-carboximidamide;hydroiodide
CID 119139910

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide (CID 110060781) is N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1ccco1)N1CC(C)N(CCOC)C(C)C1.I.
What is the InChIKey of N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is SSGNUSPQCCBGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.HI/c1-5-19-18(20-9-8-17-7-6-11-24-17)21-13-15(2)22(10-12-23-4)16(3)14-21;/h6-7,11,15-16H,5,8-10,12-14H2,1-4H3,(H,19,20);1H.
What are the key properties of N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 464.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-methoxyethyl)-3,5-dimethylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110060781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).