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

C15H25N3O2 — CID 103461984

IUPAC3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCCC(C)(C)CNCc1cc(/C(N)=N/O)ccc1OC
InChIInChI=1S/C15H25N3O2/c1-5-15(2,3)10-17-9-12-8-11(14(16)18-19)6-7-13(12)20-4/h6-8,17,19H,5,9-10H2,1-4H3,(H2,16,18)
InChIKeyYSXCMYIPLVMFGX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.32
Rot. Bonds7

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

3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide (PubChem CID 103461984) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide
PubChem CID103461984
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCCC(C)(C)CNCc1cc(/C(N)=N/O)ccc1OC
InChIInChI=1S/C15H25N3O2/c1-5-15(2,3)10-17-9-12-8-11(14(16)18-19)6-7-13(12)20-4/h6-8,17,19H,5,9-10H2,1-4H3,(H2,16,18)
InChIKeyYSXCMYIPLVMFGX-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide
CID 106293172
N'-hydroxy-3-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]-4-methoxybenzenecarboximidamide
CID 107865898
N'-hydroxy-4-methoxy-3-[(pent-4-ynylamino)methyl]benzenecarboximidamide
CID 106222338
N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide
CID 106161740
3-fluoro-N'-hydroxy-4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]benzenecarboximidamide
CID 115360512
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
3-fluoro-N'-hydroxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]benzenecarboximidamide
CID 106148635
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991
3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 106202006
N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204419
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482972
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide?
The IUPAC name of 3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide (CID 103461984) is 3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide?
The canonical SMILES for 3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide is CCC(C)(C)CNCc1cc(/C(N)=N/O)ccc1OC.
What is the InChIKey of 3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide?
The InChIKey is YSXCMYIPLVMFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-15(2,3)10-17-9-12-8-11(14(16)18-19)6-7-13(12)20-4/h6-8,17,19H,5,9-10H2,1-4H3,(H2,16,18).
What are the key properties of 3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide?
3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide has a molecular weight of 279.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 103461984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).