N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide

C12H27N3O — CID 77063628

IUPACN'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide
SMILESCCC(C)(C)NCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O/c1-6-12(4,5)14-9-7-8-11(2,3)10(13)15-16/h14,16H,6-9H2,1-5H3,(H2,13,15)
InChIKeyLRVJGXLPYZFAIT-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.32
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide (PubChem CID 77063628) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide
PubChem CID77063628
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide
SMILESCCC(C)(C)NCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O/c1-6-12(4,5)14-9-7-8-11(2,3)10(13)15-16/h14,16H,6-9H2,1-5H3,(H2,13,15)
InChIKeyLRVJGXLPYZFAIT-UHFFFAOYSA-N
XLogP2.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.32
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

5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-5-(2-methylbutan-2-ylamino)pentanimidamide
CID 77025525
5-(2,2-dimethylhydrazinyl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 83016411
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106293197
5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114248120
N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide
CID 77061866
N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide
CID 106339646
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide (CID 77063628) is N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide is CCC(C)(C)NCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide?
The InChIKey is LRVJGXLPYZFAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-12(4,5)14-9-7-8-11(2,3)10(13)15-16/h14,16H,6-9H2,1-5H3,(H2,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide has a molecular weight of 229.37 g/mol, XLogP of 2.32, 7 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-5-(2-methylbutan-2-ylamino)pentanimidamide is sourced from PubChem (CID 77063628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).