5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide

C11H25N3O — CID 76928038

IUPAC5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCN(CCCCC(N)=NO)CC(C)(C)C
InChIInChI=1S/C11H25N3O/c1-11(2,3)9-14(4)8-6-5-7-10(12)13-15/h15H,5-9H2,1-4H3,(H2,12,13)
InChIKeyVDVAGQBUMSERKZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.88
Rot. Bonds6

About 5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide

5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide (PubChem CID 76928038) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
PubChem CID76928038
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCN(CCCCC(N)=NO)CC(C)(C)C
InChIInChI=1S/C11H25N3O/c1-11(2,3)9-14(4)8-6-5-7-10(12)13-15/h15H,5-9H2,1-4H3,(H2,12,13)
InChIKeyVDVAGQBUMSERKZ-UHFFFAOYSA-N
XLogP1.88
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551
5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide
CID 76912512
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
N'-hydroxy-3-[methyl(octyl)amino]propanimidamide
CID 43129496
4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062294
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572
N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide
CID 104869240
N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide
CID 55005421
4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 58066360
N'-hydroxy-4-[methyl(2-methylbutyl)amino]butanimidamide
CID 43295873
5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374536
N'-hydroxy-5-[methyl-(4-methylcyclohexyl)amino]pentanimidamide
CID 94230169

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide (CID 76928038) is 5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide is CN(CCCCC(N)=NO)CC(C)(C)C.
What is the InChIKey of 5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is VDVAGQBUMSERKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-11(2,3)9-14(4)8-6-5-7-10(12)13-15/h15H,5-9H2,1-4H3,(H2,12,13).
What are the key properties of 5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide?
5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 76928038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).