N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide

C14H21N3O2 — CID 107912480

IUPACN'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCCN1CCCC1
InChIInChI=1S/C14H21N3O2/c1-11-4-5-12(14(15)16-18)10-13(11)19-9-8-17-6-2-3-7-17/h4-5,10,18H,2-3,6-9H2,1H3,(H2,15,16)
InChIKeyHOSFCIYIQGGTQV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds5

About N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide

N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide (PubChem CID 107912480) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
PubChem CID107912480
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCCN1CCCC1
InChIInChI=1S/C14H21N3O2/c1-11-4-5-12(14(15)16-18)10-13(11)19-9-8-17-6-2-3-7-17/h4-5,10,18H,2-3,6-9H2,1H3,(H2,15,16)
InChIKeyHOSFCIYIQGGTQV-UHFFFAOYSA-N
XLogP1.56
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.56
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

4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301567
N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
CID 107656907
4-methyl-3-(3-piperidin-1-ylpropoxy)benzoic acid
CID 82165926
4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile
CID 103760393
N'-hydroxy-5-nitro-2-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
CID 76935388
3-(2-tert-butylsulfonylethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656742
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
3-ethoxy-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 20993050
3-fluoro-N'-hydroxy-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912481
4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 82796589
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22318837
N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide
CID 107920810

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide (CID 107912480) is N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide is Cc1ccc(/C(N)=N/O)cc1OCCN1CCCC1.
What is the InChIKey of N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide?
The InChIKey is HOSFCIYIQGGTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-4-5-12(14(15)16-18)10-13(11)19-9-8-17-6-2-3-7-17/h4-5,10,18H,2-3,6-9H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide?
N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide is sourced from PubChem (CID 107912480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).