6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide

C14H31N3O — CID 106711627

IUPAC6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(C)CCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O/c1-13(2,3)9-11-16-10-7-6-8-14(4,5)12(15)17-18/h16,18H,6-11H2,1-5H3,(H2,15,17)
InChIKeyNRJFZCZHDKCFNN-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.96
Rot. Bonds8

About 6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711627) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711627
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(C)CCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O/c1-13(2,3)9-11-16-10-7-6-8-14(4,5)12(15)17-18/h16,18H,6-11H2,1-5H3,(H2,15,17)
InChIKeyNRJFZCZHDKCFNN-UHFFFAOYSA-N
XLogP2.96
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.96
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

4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
CID 106710917
N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
CID 106711655
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
CID 106161745
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114248120
N'-hydroxy-6-[4-(2-methoxyethoxy)butylamino]-2,2-dimethylhexanimidamide
CID 106711583

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711627) is 6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(C)CCNCCCCC(C)(C)C(N)=NO.
What is the InChIKey of 6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is NRJFZCZHDKCFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-13(2,3)9-11-16-10-7-6-8-14(4,5)12(15)17-18/h16,18H,6-11H2,1-5H3,(H2,15,17).
What are the key properties of 6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 257.42 g/mol, XLogP of 2.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).