N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide

C10H23N3O2 — CID 83176853

IUPACN'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide
SMILESCC(CCO)NCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-8(4-7-14)12-6-5-10(2,3)9(11)13-15/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13)
InChIKeyQXZYIKUNDJGVPF-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.51
Rot. Bonds7

About N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide

N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide (PubChem CID 83176853) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide
PubChem CID83176853
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide
SMILESCC(CCO)NCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-8(4-7-14)12-6-5-10(2,3)9(11)13-15/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13)
InChIKeyQXZYIKUNDJGVPF-UHFFFAOYSA-N
XLogP0.51
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.51
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide (CID 83176853) is N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide is CC(CCO)NCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide?
The InChIKey is QXZYIKUNDJGVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-8(4-7-14)12-6-5-10(2,3)9(11)13-15/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide?
N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-hydroxybutan-2-ylamino)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 83176853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).