4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide

C15H23N3O2 — CID 61299834

IUPAC4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESCN(CCOc1ccc(C(N)=NO)cc1)C1CCCC1
InChIInChI=1S/C15H23N3O2/c1-18(13-4-2-3-5-13)10-11-20-14-8-6-12(7-9-14)15(16)17-19/h6-9,13,19H,2-5,10-11H2,1H3,(H2,16,17)
InChIKeyJMQKFKKSPATEMJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.03
Rot. Bonds6

About 4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide

4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 61299834) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID61299834
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESCN(CCOc1ccc(C(N)=NO)cc1)C1CCCC1
InChIInChI=1S/C15H23N3O2/c1-18(13-4-2-3-5-13)10-11-20-14-8-6-12(7-9-14)15(16)17-19/h6-9,13,19H,2-5,10-11H2,1H3,(H2,16,17)
InChIKeyJMQKFKKSPATEMJ-UHFFFAOYSA-N
XLogP2.03
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 104967571
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290625
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
N'-hydroxy-4-[2-[methyl(pentan-3-yl)amino]ethoxy]benzenecarboximidamide
CID 61301180
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027875
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888
N'-hydroxy-4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]benzenecarboximidamide
CID 61298660
4-[2-(dimethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide;2-(4-isocyanophenoxy)-N,N-dimethylethanamine
CID 172973820
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide (CID 61299834) is 4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide is CN(CCOc1ccc(C(N)=NO)cc1)C1CCCC1.
What is the InChIKey of 4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is JMQKFKKSPATEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(13-4-2-3-5-13)10-11-20-14-8-6-12(7-9-14)15(16)17-19/h6-9,13,19H,2-5,10-11H2,1H3,(H2,16,17).
What are the key properties of 4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 61299834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).