N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide

C16H32IN3O — CID 75512975

IUPACN'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOCCC1(C/N=C(\N)N2CCCCC2)CCCC1.I
InChIInChI=1S/C16H31N3O.HI/c1-2-20-13-10-16(8-4-5-9-16)14-18-15(17)19-11-6-3-7-12-19;/h2-14H2,1H3,(H2,17,18);1H
InChIKeyIYBMCJIPEDHWBZ-UHFFFAOYSA-N
MW409.36 g/mol
LogP3.39
Rot. Bonds6

About N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide

N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 75512975) has the molecular formula C16H32IN3O and a molecular weight of 409.36 g/mol. Its IUPAC name is N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID75512975
Molecular FormulaC16H32IN3O
Molecular Weight409.36 g/mol
Exact Mass409.16
IUPAC NameN'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOCCC1(C/N=C(\N)N2CCCCC2)CCCC1.I
InChIInChI=1S/C16H31N3O.HI/c1-2-20-13-10-16(8-4-5-9-16)14-18-15(17)19-11-6-3-7-12-19;/h2-14H2,1H3,(H2,17,18);1H
InChIKeyIYBMCJIPEDHWBZ-UHFFFAOYSA-N
XLogP3.39
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide
CID 111824620
N'-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]azetidine-1-carboximidamide
CID 122095314
1-cyclopropyl-2-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1-methylguanidine
CID 110031667
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109471021
N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111025862
1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006604
N'-(2-ethoxyethyl)morpholine-4-carboximidamide;hydroiodide
CID 111045505
N'-propylazocane-1-carboximidamide
CID 62361040
N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111809281
N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide
CID 120762517
N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111911855

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 75512975) is N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide is CCOCCC1(C/N=C(\N)N2CCCCC2)CCCC1.I.
What is the InChIKey of N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is IYBMCJIPEDHWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.HI/c1-2-20-13-10-16(8-4-5-9-16)14-18-15(17)19-11-6-3-7-12-19;/h2-14H2,1H3,(H2,17,18);1H.
What are the key properties of N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 409.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 75512975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).