N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide

C15H25N3O — CID 76949179

IUPACN'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide
SMILESCCC(C)CN(C)C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-4-12(2)11-18(3)14(10-15(16)17-19)13-8-6-5-7-9-13/h5-9,12,14,19H,4,10-11H2,1-3H3,(H2,16,17)
InChIKeyDKNXAWMRGWAKNU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.84
Rot. Bonds7

About N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide

N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide (PubChem CID 76949179) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide
PubChem CID76949179
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide
SMILESCCC(C)CN(C)C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-4-12(2)11-18(3)14(10-15(16)17-19)13-8-6-5-7-9-13/h5-9,12,14,19H,4,10-11H2,1-3H3,(H2,16,17)
InChIKeyDKNXAWMRGWAKNU-UHFFFAOYSA-N
XLogP2.84
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.84
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

3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949093
3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide
CID 62779626
N'-hydroxy-3-[methyl(pentan-3-yl)amino]-3-phenylpropanimidamide
CID 76949064
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81055642
N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide
CID 77104932
N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide
CID 43295869
N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide
CID 76949048
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
N'-hydroxy-3-(2-methylpropylsulfanyl)-3-phenylpropanimidamide
CID 55117637
2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine
CID 43295709
3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide
CID 64538543
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide
CID 55140663

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide (CID 76949179) is N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide is CCC(C)CN(C)C(CC(N)=NO)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide?
The InChIKey is DKNXAWMRGWAKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12(2)11-18(3)14(10-15(16)17-19)13-8-6-5-7-9-13/h5-9,12,14,19H,4,10-11H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide?
N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide has a molecular weight of 263.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide is sourced from PubChem (CID 76949179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).