N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C17H30IN3O2 — CID 111143765

IUPACN-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCOCc1ccco1)N1CCCC(C)C1.I
InChIInChI=1S/C17H29N3O2.HI/c1-3-18-17(20-10-4-7-15(2)13-20)19-9-6-11-21-14-16-8-5-12-22-16;/h5,8,12,15H,3-4,6-7,9-11,13-14H2,1-2H3,(H,18,19);1H
InChIKeySEWBLMHGPPPENJ-UHFFFAOYSA-N
MW435.35 g/mol
LogP3.50
Rot. Bonds7

About N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111143765) has the molecular formula C17H30IN3O2 and a molecular weight of 435.35 g/mol. Its IUPAC name is N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111143765
Molecular FormulaC17H30IN3O2
Molecular Weight435.35 g/mol
Exact Mass435.14
IUPAC NameN-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCOCc1ccco1)N1CCCC(C)C1.I
InChIInChI=1S/C17H29N3O2.HI/c1-3-18-17(20-10-4-7-15(2)13-20)19-9-6-11-21-14-16-8-5-12-22-16;/h5,8,12,15H,3-4,6-7,9-11,13-14H2,1-2H3,(H,18,19);1H
InChIKeySEWBLMHGPPPENJ-UHFFFAOYSA-N
XLogP3.50
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443412
N-ethyl-4-(furan-2-carbonyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111166124
N-ethyl-N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144639
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111388055
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine
CID 111256379
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111399106
N-ethyl-3-methyl-N'-[3-(oxolan-2-ylmethoxy)propyl]piperidine-1-carboximidamide
CID 111145640
N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 110053296
N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153081
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111499233
N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide
CID 111144570
1-[2-(azepan-1-yl)ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111400063

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111143765) is N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCOCc1ccco1)N1CCCC(C)C1.I.
What is the InChIKey of N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is SEWBLMHGPPPENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.HI/c1-3-18-17(20-10-4-7-15(2)13-20)19-9-6-11-21-14-16-8-5-12-22-16;/h5,8,12,15H,3-4,6-7,9-11,13-14H2,1-2H3,(H,18,19);1H.
What are the key properties of N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 435.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111143765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).