N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide

C15H19N3O — CID 86819232

IUPACN'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide
SMILESCC(O/N=C(/N)C1CCCC1)c1cccc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-11(14-8-4-5-12(9-14)10-16)19-18-15(17)13-6-2-3-7-13/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H2,17,18)
InChIKeyCQVTXDXRUSKFDJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.10
Rot. Bonds4

About N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide

N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide (PubChem CID 86819232) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide
PubChem CID86819232
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide
SMILESCC(O/N=C(/N)C1CCCC1)c1cccc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-11(14-8-4-5-12(9-14)10-16)19-18-15(17)13-6-2-3-7-13/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H2,17,18)
InChIKeyCQVTXDXRUSKFDJ-UHFFFAOYSA-N
XLogP3.10
TPSA71.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-cyanophenyl)methyl]cyclopentanecarboximidamide
CID 63175813
3-[1-(cyclohexylmethylamino)ethyl]benzonitrile
CID 43775658
3-[(3-cyclobutylphenyl)-hydroxymethyl]benzonitrile
CID 114601548
3-[1-(3-cyanophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066622
3-[1-(cyclobutylmethylamino)ethyl]benzonitrile
CID 43775260
methyl (2R)-2-(3-cyanophenyl)-2-(cyclohexylamino)acetate
CID 97234614
3-[(3,4-dimethylcyclohexyl)-hydroxymethyl]benzonitrile
CID 113318860
3-[(1S)-1-amino-2-hydroxypropyl]benzonitrile
CID 131098129
3-[(1S,2R)-1-amino-2-hydroxypropyl]benzonitrile;hydrochloride
CID 171267137
3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile
CID 54931681
3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile
CID 63991329
3-[1-[(4-methylcyclohexyl)amino]ethyl]benzonitrile
CID 43761537

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide?
The IUPAC name of N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide (CID 86819232) is N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide?
The canonical SMILES for N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide is CC(O/N=C(/N)C1CCCC1)c1cccc(C#N)c1.
What is the InChIKey of N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide?
The InChIKey is CQVTXDXRUSKFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(14-8-4-5-12(9-14)10-16)19-18-15(17)13-6-2-3-7-13/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H2,17,18).
What are the key properties of N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide?
N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide has a molecular weight of 257.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-cyanophenyl)ethoxy]cyclopentanecarboximidamide is sourced from PubChem (CID 86819232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).