N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide

C12H25N3O — CID 106711655

IUPACN'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
SMILESC=C(C)CNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H25N3O/c1-10(2)9-14-8-6-5-7-12(3,4)11(13)15-16/h14,16H,1,5-9H2,2-4H3,(H2,13,15)
InChIKeySAXKWUNZBXHLFC-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide

N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide (PubChem CID 106711655) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
PubChem CID106711655
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
SMILESC=C(C)CNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H25N3O/c1-10(2)9-14-8-6-5-7-12(3,4)11(13)15-16/h14,16H,1,5-9H2,2-4H3,(H2,13,15)
InChIKeySAXKWUNZBXHLFC-UHFFFAOYSA-N
XLogP2.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide
CID 106711229
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
CID 106710917
N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
CID 106161745
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
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-6-[4-(2-methoxyethoxy)butylamino]-2,2-dimethylhexanimidamide
CID 106711583

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide (CID 106711655) is N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide is C=C(C)CNCCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide?
The InChIKey is SAXKWUNZBXHLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)9-14-8-6-5-7-12(3,4)11(13)15-16/h14,16H,1,5-9H2,2-4H3,(H2,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide has a molecular weight of 227.35 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide is sourced from PubChem (CID 106711655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).