N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide

C11H25N3O2 — CID 104762047

IUPACN'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide
SMILESCC(C)OCCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-9(2)16-8-7-13-6-5-11(3,4)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14)
InChIKeyCUUBTBBCJPNSHL-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.16
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide

N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide (PubChem CID 104762047) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide
PubChem CID104762047
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide
SMILESCC(C)OCCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-9(2)16-8-7-13-6-5-11(3,4)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14)
InChIKeyCUUBTBBCJPNSHL-UHFFFAOYSA-N
XLogP1.16
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide
CID 83144600
4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062104
N'-hydroxy-4-[(2-hydroxy-3-methylbutyl)amino]-2,2-dimethylbutanimidamide
CID 104866839
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide
CID 106711229
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide (CID 104762047) is N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide is CC(C)OCCNCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide?
The InChIKey is CUUBTBBCJPNSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-9(2)16-8-7-13-6-5-11(3,4)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide is sourced from PubChem (CID 104762047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).