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

C14H23N3O — CID 83156187

IUPACN'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide
SMILESCC(C)CCCN(C)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H23N3O/c1-11(2)6-5-9-17(3)13-8-4-7-12(10-13)14(15)16-18/h4,7-8,10-11,18H,5-6,9H2,1-3H3,(H2,15,16)
InChIKeyYRCNOLUTXSVMBC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.65
Rot. Bonds6

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

N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide (PubChem CID 83156187) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide
PubChem CID83156187
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide
SMILESCC(C)CCCN(C)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H23N3O/c1-11(2)6-5-9-17(3)13-8-4-7-12(10-13)14(15)16-18/h4,7-8,10-11,18H,5-6,9H2,1-3H3,(H2,15,16)
InChIKeyYRCNOLUTXSVMBC-UHFFFAOYSA-N
XLogP2.65
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
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

N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 76979492
3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979490
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide
CID 103409993
N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide
CID 76979517
3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 62971843
N'-hydroxy-3-[3-imidazol-1-ylpropyl(methyl)amino]benzenecarboximidamide
CID 76979516
1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
CID 117041155
1-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methyl-3-propan-2-ylurea
CID 76979261
N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 76979496
N'-hydroxy-3-[[methyl(3-methylbutylsulfonyl)amino]methyl]benzenecarboximidamide
CID 77008650
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
N'-hydroxy-3-methyl-4-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 54934017

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide (CID 83156187) is N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide is CC(C)CCCN(C)c1cccc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide?
The InChIKey is YRCNOLUTXSVMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)6-5-9-17(3)13-8-4-7-12(10-13)14(15)16-18/h4,7-8,10-11,18H,5-6,9H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide?
N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide has a molecular weight of 249.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide is sourced from PubChem (CID 83156187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).