N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide

C15H25N3O — CID 83144415

IUPACN'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide
SMILESCC(CNCc1cccc(/C(N)=N/O)c1)C(C)(C)C
InChIInChI=1S/C15H25N3O/c1-11(15(2,3)4)9-17-10-12-6-5-7-13(8-12)14(16)18-19/h5-8,11,17,19H,9-10H2,1-4H3,(H2,16,18)
InChIKeyQXEDBVYLASBZBK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.55
Rot. Bonds5

About N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide

N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide (PubChem CID 83144415) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide
PubChem CID83144415
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide
SMILESCC(CNCc1cccc(/C(N)=N/O)c1)C(C)(C)C
InChIInChI=1S/C15H25N3O/c1-11(15(2,3)4)9-17-10-12-6-5-7-13(8-12)14(16)18-19/h5-8,11,17,19H,9-10H2,1-4H3,(H2,16,18)
InChIKeyQXEDBVYLASBZBK-UHFFFAOYSA-N
XLogP2.55
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-[(2,2-dimethylpropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032714
N'-hydroxy-3-[[(2-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 77056345
N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
N'-hydroxy-3-[(2-methylpentan-3-ylamino)methyl]benzenecarboximidamide
CID 77032298
N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide
CID 114617394
N'-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]benzenecarboximidamide
CID 77028839
3-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 81352927
tert-butyl 3-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]propanoate
CID 89023446
N'-hydroxy-3-[(2-methylsulfanylanilino)methyl]benzenecarboximidamide
CID 107645067
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
CID 114959565
3-[(but-3-ynylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77028067

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide (CID 83144415) is N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide is CC(CNCc1cccc(/C(N)=N/O)c1)C(C)(C)C.
What is the InChIKey of N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide?
The InChIKey is QXEDBVYLASBZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(15(2,3)4)9-17-10-12-6-5-7-13(8-12)14(16)18-19/h5-8,11,17,19H,9-10H2,1-4H3,(H2,16,18).
What are the key properties of N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide?
N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide has a molecular weight of 263.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 83144415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).