5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide

C11H24N4O2 — CID 114162300

IUPAC5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
SMILESCC(C)(CCNCCCCC(N)=O)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-11(2,10(13)15-17)6-8-14-7-4-3-5-9(12)16/h14,17H,3-8H2,1-2H3,(H2,12,16)(H2,13,15)
InChIKeyAJPVJUIDUSYSQA-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.39
Rot. Bonds9

About 5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide

5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide (PubChem CID 114162300) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide.

Molecular Properties

Compound Name5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
PubChem CID114162300
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
SMILESCC(C)(CCNCCCCC(N)=O)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-11(2,10(13)15-17)6-8-14-7-4-3-5-9(12)16/h14,17H,3-8H2,1-2H3,(H2,12,16)(H2,13,15)
InChIKeyAJPVJUIDUSYSQA-UHFFFAOYSA-N
XLogP0.39
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
CID 106711562
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104867132
N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
CID 106710917
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711564
2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide
CID 113293207
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114248120

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide?
The IUPAC name of 5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide (CID 114162300) is 5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide.
What is the SMILES notation for 5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide?
The canonical SMILES for 5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide is CC(C)(CCNCCCCC(N)=O)C(N)=NO.
What is the InChIKey of 5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide?
The InChIKey is AJPVJUIDUSYSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-11(2,10(13)15-17)6-8-14-7-4-3-5-9(12)16/h14,17H,3-8H2,1-2H3,(H2,12,16)(H2,13,15).
What are the key properties of 5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide?
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide has a molecular weight of 244.34 g/mol, XLogP of 0.39, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide is sourced from PubChem (CID 114162300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).