N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide

C13H29N3O — CID 83144600

IUPACN'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide
SMILESCC(CNCCC(C)(C)C(N)=NO)C(C)(C)C
InChIInChI=1S/C13H29N3O/c1-10(12(2,3)4)9-15-8-7-13(5,6)11(14)16-17/h10,15,17H,7-9H2,1-6H3,(H2,14,16)
InChIKeyZOVUPRPQMDPROB-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.42
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide

N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide (PubChem CID 83144600) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide
PubChem CID83144600
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide
SMILESCC(CNCCC(C)(C)C(N)=NO)C(C)(C)C
InChIInChI=1S/C13H29N3O/c1-10(12(2,3)4)9-15-8-7-13(5,6)11(14)16-17/h10,15,17H,7-9H2,1-6H3,(H2,14,16)
InChIKeyZOVUPRPQMDPROB-UHFFFAOYSA-N
XLogP2.42
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.42
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-[(2-hydroxy-3-methylbutyl)amino]-2,2-dimethylbutanimidamide
CID 104866839
N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide
CID 104762047
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
N'-hydroxy-4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,2-dimethylbutanimidamide
CID 79249626
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylpropylamino)pentanimidamide
CID 77063211
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide
CID 106148640
5-(2,2-dimethylhydrazinyl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 83016411
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide
CID 77061866

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide (CID 83144600) is N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide is CC(CNCCC(C)(C)C(N)=NO)C(C)(C)C.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide?
The InChIKey is ZOVUPRPQMDPROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-10(12(2,3)4)9-15-8-7-13(5,6)11(14)16-17/h10,15,17H,7-9H2,1-6H3,(H2,14,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide has a molecular weight of 243.39 g/mol, XLogP of 2.42, 6 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-4-(2,3,3-trimethylbutylamino)butanimidamide is sourced from PubChem (CID 83144600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).