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

C13H28N4O2 — CID 103110710

IUPAC2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H28N4O2/c1-6-17(5)11(18)10(2)15-9-7-8-13(3,4)12(14)16-19/h10,15,19H,6-9H2,1-5H3,(H2,14,16)
InChIKeyCZIQUISZTKSVJO-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.00
Rot. Bonds8

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

2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103110710) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103110710
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC Name2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H28N4O2/c1-6-17(5)11(18)10(2)15-9-7-8-13(3,4)12(14)16-19/h10,15,19H,6-9H2,1-5H3,(H2,14,16)
InChIKeyCZIQUISZTKSVJO-UHFFFAOYSA-N
XLogP1.00
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.00
H-Bond Donors ≤ 53
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-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide
CID 77063133
2-(butylamino)-N-ethyl-N-methylpropanamide
CID 103107906
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide
CID 106711556
N-ethyl-2-[(3-hydroxy-3-methylbutyl)amino]-N-methylpropanamide
CID 103108355
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711557
N-ethyl-2-(hexylamino)-N-methylpropanamide
CID 103107347
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide
CID 106711622
5-(2,2-dimethylhydrazinyl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 83016411
N'-hydroxy-2,2-dimethyl-6-(4-methylhexan-2-ylamino)hexanimidamide
CID 106711358
methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108728
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide (CID 103110710) is 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCCCC(C)(C)C(N)=NO.
What is the InChIKey of 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is CZIQUISZTKSVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-6-17(5)11(18)10(2)15-9-7-8-13(3,4)12(14)16-19/h10,15,19H,6-9H2,1-5H3,(H2,14,16).
What are the key properties of 2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide?
2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 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-ethyl-N-methylpropanamide is sourced from PubChem (CID 103110710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).