3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide

C12H26N4O2 — CID 106711622

IUPAC3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide
SMILESCC(CC(N)=O)NCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H26N4O2/c1-9(8-10(13)17)15-7-5-4-6-12(2,3)11(14)16-18/h9,15,18H,4-8H2,1-3H3,(H2,13,17)(H2,14,16)
InChIKeyHWFJQXZTOAOYMJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.78
Rot. Bonds9

About 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide

3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide (PubChem CID 106711622) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide.

Molecular Properties

Compound Name3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide
PubChem CID106711622
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide
SMILESCC(CC(N)=O)NCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H26N4O2/c1-9(8-10(13)17)15-7-5-4-6-12(2,3)11(14)16-18/h9,15,18H,4-8H2,1-3H3,(H2,13,17)(H2,14,16)
InChIKeyHWFJQXZTOAOYMJ-UHFFFAOYSA-N
XLogP0.78
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.78
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

N'-hydroxy-2,2-dimethyl-6-(4-methylhexan-2-ylamino)hexanimidamide
CID 106711358
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-methylpropanamide
CID 77063133
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
CID 106711562
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
N'-hydroxy-2,2-dimethyl-6-[1-(4-methylphenyl)ethylamino]hexanimidamide
CID 106711270
2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide
CID 103110710
4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062756

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide?
The IUPAC name of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide (CID 106711622) is 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide.
What is the SMILES notation for 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide?
The canonical SMILES for 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide is CC(CC(N)=O)NCCCCC(C)(C)C(N)=NO.
What is the InChIKey of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide?
The InChIKey is HWFJQXZTOAOYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-9(8-10(13)17)15-7-5-4-6-12(2,3)11(14)16-18/h9,15,18H,4-8H2,1-3H3,(H2,13,17)(H2,14,16).
What are the key properties of 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide?
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide has a molecular weight of 258.37 g/mol, XLogP of 0.78, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide is sourced from PubChem (CID 106711622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).