2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea

C11H25N5O2 — CID 106711535

IUPAC2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
SMILESCC(C)(CCCCNCCNC(N)=O)C(N)=NO
InChIInChI=1S/C11H25N5O2/c1-11(2,9(12)16-18)5-3-4-6-14-7-8-15-10(13)17/h14,18H,3-8H2,1-2H3,(H2,12,16)(H3,13,15,17)
InChIKeyTVVGBQMIISBGCM-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.19
Rot. Bonds9

About 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea

2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea (PubChem CID 106711535) has the molecular formula C11H25N5O2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea.

Molecular Properties

Compound Name2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
PubChem CID106711535
Molecular FormulaC11H25N5O2
Molecular Weight259.35 g/mol
Exact Mass259.20
IUPAC Name2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
SMILESCC(C)(CCCCNCCNC(N)=O)C(N)=NO
InChIInChI=1S/C11H25N5O2/c1-11(2,9(12)16-18)5-3-4-6-14-7-8-15-10(13)17/h14,18H,3-8H2,1-2H3,(H2,12,16)(H3,13,15,17)
InChIKeyTVVGBQMIISBGCM-UHFFFAOYSA-N
XLogP0.19
TPSA125.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.19
H-Bond Donors ≤ 55
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

6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
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
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
CID 106711562
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-6-[4-(2-methoxyethoxy)butylamino]-2,2-dimethylhexanimidamide
CID 106711583
N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide
CID 106711229
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
CID 106711655
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea?
The IUPAC name of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea (CID 106711535) is 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea.
What is the SMILES notation for 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea?
The canonical SMILES for 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea is CC(C)(CCCCNCCNC(N)=O)C(N)=NO.
What is the InChIKey of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea?
The InChIKey is TVVGBQMIISBGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O2/c1-11(2,9(12)16-18)5-3-4-6-14-7-8-15-10(13)17/h14,18H,3-8H2,1-2H3,(H2,12,16)(H3,13,15,17).
What are the key properties of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea?
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea has a molecular weight of 259.35 g/mol, XLogP of 0.19, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea is sourced from PubChem (CID 106711535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).