N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide

C13H24N2O — CID 106000913

IUPACN'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide
SMILESN/C(=N\CCC1CCCCO1)C1CCCC1
InChIInChI=1S/C13H24N2O/c14-13(11-5-1-2-6-11)15-9-8-12-7-3-4-10-16-12/h11-12H,1-10H2,(H2,14,15)
InChIKeyYVKMEXIERHHJRJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.49
Rot. Bonds4

About N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide

N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide (PubChem CID 106000913) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide
PubChem CID106000913
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide
SMILESN/C(=N\CCC1CCCCO1)C1CCCC1
InChIInChI=1S/C13H24N2O/c14-13(11-5-1-2-6-11)15-9-8-12-7-3-4-10-16-12/h11-12H,1-10H2,(H2,14,15)
InChIKeyYVKMEXIERHHJRJ-UHFFFAOYSA-N
XLogP2.49
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide
CID 63177022
N'-[2-(oxan-2-yl)ethyl]azepane-1-carboximidamide;hydroiodide
CID 110018672
N'-[2-(oxan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 110018757
1-tert-butyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018771
N'-[2-(oxolan-2-yl)ethyl]butanimidamide
CID 63177994
1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018747
N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110018690
N'-(2-cyclopentylethyl)cyclopropanecarboximidamide
CID 63175622
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide
CID 77057975
1-(3-methylbutyl)-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018751
4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide
CID 110033267
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925

Frequently Asked Questions

What is the IUPAC name of N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide?
The IUPAC name of N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide (CID 106000913) is N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide is N/C(=N\CCC1CCCCO1)C1CCCC1.
What is the InChIKey of N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide?
The InChIKey is YVKMEXIERHHJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-13(11-5-1-2-6-11)15-9-8-12-7-3-4-10-16-12/h11-12H,1-10H2,(H2,14,15).
What are the key properties of N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide?
N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide has a molecular weight of 224.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide is sourced from PubChem (CID 106000913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).