5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

C9H21N3O — CID 77063094

IUPAC5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(C)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C9H21N3O/c1-9(2,8(10)11-13)6-5-7-12(3)4/h13H,5-7H2,1-4H3,(H2,10,11)
InChIKeyILGMJSFTZRMQTO-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.10
Rot. Bonds5

About 5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063094) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063094
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(C)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C9H21N3O/c1-9(2,8(10)11-13)6-5-7-12(3)4/h13H,5-7H2,1-4H3,(H2,10,11)
InChIKeyILGMJSFTZRMQTO-UHFFFAOYSA-N
XLogP1.10
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885
N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 77063985
N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
CID 106710729
5-[butyl(ethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063075
5-(2,2-dimethylhydrazinyl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 83016411
N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide
CID 77063572
N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063702
5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063581
4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062294
N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 77063707
5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064071

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063094) is 5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is CN(C)CCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is ILGMJSFTZRMQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(2,8(10)11-13)6-5-7-12(3)4/h13H,5-7H2,1-4H3,(H2,10,11).
What are the key properties of 5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 187.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).