4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

C16H27N3O2 — CID 114482555

IUPAC4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCC(C)N(CCOC)Cc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C16H27N3O2/c1-5-13(3)19(8-9-21-4)11-15-7-6-14(10-12(15)2)16(17)18-20/h6-7,10,13,20H,5,8-9,11H2,1-4H3,(H2,17,18)
InChIKeyUAOGGAJWVDOINT-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.34
Rot. Bonds8

About 4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114482555) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114482555
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCC(C)N(CCOC)Cc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C16H27N3O2/c1-5-13(3)19(8-9-21-4)11-15-7-6-14(10-12(15)2)16(17)18-20/h6-7,10,13,20H,5,8-9,11H2,1-4H3,(H2,17,18)
InChIKeyUAOGGAJWVDOINT-UHFFFAOYSA-N
XLogP2.34
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.34
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-4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114482519
N'-hydroxy-3-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]benzenecarboximidamide
CID 114482556
N'-hydroxy-4-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114482548
4-[[butan-2-yl(butyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76912069
4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76984278
4-[[ethyl(2-ethylbutyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482527
N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013495
N'-hydroxy-3-methyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 114482615
4-[[3-(dimethylamino)propyl-methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482608
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzoic acid
CID 63075063
tert-butyl N-[[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 177190571

Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114482555) is 4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is CCC(C)N(CCOC)Cc1ccc(/C(N)=N/O)cc1C.
What is the InChIKey of 4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is UAOGGAJWVDOINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-13(3)19(8-9-21-4)11-15-7-6-14(10-12(15)2)16(17)18-20/h6-7,10,13,20H,5,8-9,11H2,1-4H3,(H2,17,18).
What are the key properties of 4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 293.41 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114482555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).