N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide

C15H30IN3O2 — CID 111770641

IUPACN-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCOC1CCOCC1)N1CCCC1.I
InChIInChI=1S/C15H29N3O2.HI/c1-2-16-15(18-9-3-4-10-18)17-8-5-11-20-14-6-12-19-13-7-14;/h14H,2-13H2,1H3,(H,16,17);1H
InChIKeyOZQKVNGMDPMALQ-UHFFFAOYSA-N
MW411.33 g/mol
LogP2.25
Rot. Bonds6

About N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111770641) has the molecular formula C15H30IN3O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111770641
Molecular FormulaC15H30IN3O2
Molecular Weight411.33 g/mol
Exact Mass411.14
IUPAC NameN-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCOC1CCOCC1)N1CCCC1.I
InChIInChI=1S/C15H29N3O2.HI/c1-2-16-15(18-9-3-4-10-18)17-8-5-11-20-14-6-12-19-13-7-14;/h14H,2-13H2,1H3,(H,16,17);1H
InChIKeyOZQKVNGMDPMALQ-UHFFFAOYSA-N
XLogP2.25
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 52.25
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'-(5-cyclohexyloxypentyl)-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111758749
N-ethyl-3-methyl-N'-[3-(oxan-4-yloxy)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490911
N'-(3-cyclopentyloxypropyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449097
4-ethoxy-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 111958977
N'-(3-cyclohexyloxypropyl)-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207731
4-ethoxy-N-ethyl-N'-[3-(2-methylpropoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111959036
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111667359
N-ethyl-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212086
N-ethyl-N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144639
N-ethyl-N'-(3-methylsulfanylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447554
N-ethyl-N'-(4-methylsulfanylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448496
N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide
CID 111790182

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111770641) is N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCOC1CCOCC1)N1CCCC1.I.
What is the InChIKey of N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is OZQKVNGMDPMALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.HI/c1-2-16-15(18-9-3-4-10-18)17-8-5-11-20-14-6-12-19-13-7-14;/h14H,2-13H2,1H3,(H,16,17);1H.
What are the key properties of N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 411.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111770641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).