4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

C10H23N3O — CID 77061981

IUPAC4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCCCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O/c1-4-5-7-12-8-6-10(2,3)9(11)13-14/h12,14H,4-8H2,1-3H3,(H2,11,13)
InChIKeyWCHXZDNQYYXYTI-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.54
Rot. Bonds7

About 4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77061981) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77061981
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCCCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O/c1-4-5-7-12-8-6-10(2,3)9(11)13-14/h12,14H,4-8H2,1-3H3,(H2,11,13)
InChIKeyWCHXZDNQYYXYTI-UHFFFAOYSA-N
XLogP1.54
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.54
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
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114248120
4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104867132
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106293197
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885
N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide
CID 104762047
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106256717
4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77061981) is 4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is CCCCNCCC(C)(C)C(N)=NO.
What is the InChIKey of 4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is WCHXZDNQYYXYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-5-7-12-8-6-10(2,3)9(11)13-14/h12,14H,4-8H2,1-3H3,(H2,11,13).
What are the key properties of 4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 201.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77061981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).