N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide

C14H21N3O2 — CID 76951558

IUPACN'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
SMILESCN(CC1CCCOC1)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H21N3O2/c1-17(9-11-3-2-8-19-10-11)13-6-4-12(5-7-13)14(15)16-18/h4-7,11,18H,2-3,8-10H2,1H3,(H2,15,16)
InChIKeyZOLKARYPMXPAAE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.64
Rot. Bonds4

About N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide

N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide (PubChem CID 76951558) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
PubChem CID76951558
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
SMILESCN(CC1CCCOC1)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H21N3O2/c1-17(9-11-3-2-8-19-10-11)13-6-4-12(5-7-13)14(15)16-18/h4-7,11,18H,2-3,8-10H2,1H3,(H2,15,16)
InChIKeyZOLKARYPMXPAAE-UHFFFAOYSA-N
XLogP1.64
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.64
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'-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 76951613
N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 81296988
3-chloro-N'-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739474
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
CID 79314161
4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398948
4-[1-(ethylamino)ethyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63712227
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040
2-chloro-4-[methyl(oxan-3-ylmethyl)amino]benzoic acid
CID 55225499
N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
CID 77003917
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide (CID 76951558) is N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide is CN(CC1CCCOC1)c1ccc(C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is ZOLKARYPMXPAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(9-11-3-2-8-19-10-11)13-6-4-12(5-7-13)14(15)16-18/h4-7,11,18H,2-3,8-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide?
N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 76951558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).