N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide

C11H25N3O2 — CID 107153036

IUPACN'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide
SMILESCC(CC(N)=NO)NCC(O)CC(C)(C)C
InChIInChI=1S/C11H25N3O2/c1-8(5-10(12)14-16)13-7-9(15)6-11(2,3)4/h8-9,13,15-16H,5-7H2,1-4H3,(H2,12,14)
InChIKeySRMZEICTNXYNMU-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.90
Rot. Bonds6

About N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide

N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide (PubChem CID 107153036) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide
PubChem CID107153036
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide
SMILESCC(CC(N)=NO)NCC(O)CC(C)(C)C
InChIInChI=1S/C11H25N3O2/c1-8(5-10(12)14-16)13-7-9(15)6-11(2,3)4/h8-9,13,15-16H,5-7H2,1-4H3,(H2,12,14)
InChIKeySRMZEICTNXYNMU-UHFFFAOYSA-N
XLogP0.90
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]propanimidamide
CID 107153031
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-4-methylpentyl)amino]methyl]propanimidamide
CID 113923893
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 77027253
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 77027459
N'-hydroxy-3-(1-hydroxypropan-2-ylamino)pentanimidamide
CID 77027542
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]butanimidamide
CID 77027817
N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
CID 77028028
N'-hydroxy-3-(2-hydroxypropylamino)pentanimidamide
CID 77028170
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
CID 77028447
N'-hydroxy-3-(1-hydroxybutan-2-ylamino)butanimidamide
CID 77028589
N'-hydroxy-5-(1-hydroxybutan-2-ylamino)pentanimidamide
CID 77028592
N'-hydroxy-3-(1-hydroxybutan-2-ylamino)pentanimidamide
CID 77028805

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide (CID 107153036) is N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide is CC(CC(N)=NO)NCC(O)CC(C)(C)C.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide?
The InChIKey is SRMZEICTNXYNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-8(5-10(12)14-16)13-7-9(15)6-11(2,3)4/h8-9,13,15-16H,5-7H2,1-4H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide?
N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-hydroxy-4,4-dimethylpentyl)amino]butanimidamide is sourced from PubChem (CID 107153036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).