2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide

C11H24N4O2 — CID 77063133

IUPAC2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-8(9(16)13-4)14-7-5-6-11(2,3)10(12)15-17/h8,14,17H,5-7H2,1-4H3,(H2,12,15)(H,13,16)
InChIKeyYEYKSBPPLKSRLC-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.26
Rot. Bonds7

About 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide

2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide (PubChem CID 77063133) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide
PubChem CID77063133
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-8(9(16)13-4)14-7-5-6-11(2,3)10(12)15-17/h8,14,17H,5-7H2,1-4H3,(H2,12,15)(H,13,16)
InChIKeyYEYKSBPPLKSRLC-UHFFFAOYSA-N
XLogP0.26
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.26
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

2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide
CID 106711556
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711557
2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide
CID 103110710
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide
CID 106711622
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
CID 106711562
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
5-[1-(4-fluorophenyl)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063738

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide (CID 77063133) is 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide is CNC(=O)C(C)NCCCC(C)(C)C(N)=NO.
What is the InChIKey of 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide?
The InChIKey is YEYKSBPPLKSRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-8(9(16)13-4)14-7-5-6-11(2,3)10(12)15-17/h8,14,17H,5-7H2,1-4H3,(H2,12,15)(H,13,16).
What are the key properties of 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide?
2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide is sourced from PubChem (CID 77063133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).