N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

C17H30IN3O2 — CID 111153081

IUPACN-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCOCc1ccco1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C17H29N3O2.HI/c1-14-10-15(2)12-20(11-14)17(18-3)19-7-5-8-21-13-16-6-4-9-22-16;/h4,6,9,14-15H,5,7-8,10-13H2,1-3H3,(H,18,19);1H
InChIKeyVVMKEZWOFZDRAV-UHFFFAOYSA-N
MW435.35 g/mol
LogP3.36
Rot. Bonds6

About N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111153081) has the molecular formula C17H30IN3O2 and a molecular weight of 435.35 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111153081
Molecular FormulaC17H30IN3O2
Molecular Weight435.35 g/mol
Exact Mass435.14
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCOCc1ccco1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C17H29N3O2.HI/c1-14-10-15(2)12-20(11-14)17(18-3)19-7-5-8-21-13-16-6-4-9-22-16;/h4,6,9,14-15H,5,7-8,10-13H2,1-3H3,(H,18,19);1H
InChIKeyVVMKEZWOFZDRAV-UHFFFAOYSA-N
XLogP3.36
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.36
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

2-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485937
4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide
CID 111958114
3-benzyl-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111725593
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111398996
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398997
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110979106
N-(4-ethoxybutyl)-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154220
N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111143765
N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide
CID 111153799
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111398922
N-[2-[(2-methoxyphenyl)methoxy]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 109401264
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111398736

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (CID 111153081) is N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCOCc1ccco1)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is VVMKEZWOFZDRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.HI/c1-14-10-15(2)12-20(11-14)17(18-3)19-7-5-8-21-13-16-6-4-9-22-16;/h4,6,9,14-15H,5,7-8,10-13H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 435.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).