4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

C15H25N3O2 — CID 106789774

IUPAC4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1cc(CNCC(C)C(C)C)ccc1/C(N)=N/O
InChIInChI=1S/C15H25N3O2/c1-10(2)11(3)8-17-9-12-5-6-13(15(16)18-19)14(7-12)20-4/h5-7,10-11,17,19H,8-9H2,1-4H3,(H2,16,18)
InChIKeyZZJLWBMEBUECEV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.17
Rot. Bonds7

About 4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (PubChem CID 106789774) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
PubChem CID106789774
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1cc(CNCC(C)C(C)C)ccc1/C(N)=N/O
InChIInChI=1S/C15H25N3O2/c1-10(2)11(3)8-17-9-12-5-6-13(15(16)18-19)14(7-12)20-4/h5-7,10-11,17,19H,8-9H2,1-4H3,(H2,16,18)
InChIKeyZZJLWBMEBUECEV-UHFFFAOYSA-N
XLogP2.17
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
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-hydroxypropylamino)methyl]-2-methoxybenzenecarboximidamide
CID 106789546
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789636
4-[[3-(dimethylamino)propylamino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789509
2-[[4-[(Z)-N'-hydroxycarbamimidoyl]-3-methoxyphenyl]methylamino]ethyl carbamate
CID 106789955
N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide
CID 106789997
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789762
N'-hydroxy-2-methoxy-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzenecarboximidamide
CID 106418421
N'-hydroxy-2-methoxy-4-[(1-thiophen-2-ylethylamino)methyl]benzenecarboximidamide
CID 106789560
N'-hydroxy-2-methoxy-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 106790281
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084850
N'-hydroxy-4-[[2-hydroxypropyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106789378
N'-hydroxy-2-methoxy-5-[(2-propan-2-yloxyethylamino)methyl]benzenecarboximidamide
CID 104762048

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (CID 106789774) is 4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is COc1cc(CNCC(C)C(C)C)ccc1/C(N)=N/O.
What is the InChIKey of 4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The InChIKey is ZZJLWBMEBUECEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)11(3)8-17-9-12-5-6-13(15(16)18-19)14(7-12)20-4/h5-7,10-11,17,19H,8-9H2,1-4H3,(H2,16,18).
What are the key properties of 4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide has a molecular weight of 279.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106789774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).