N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide

C14H31N3O2 — CID 106161745

IUPACN'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
SMILESCC(CO)CCCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O2/c1-12(11-18)7-6-10-16-9-5-4-8-14(2,3)13(15)17-19/h12,16,18-19H,4-11H2,1-3H3,(H2,15,17)
InChIKeyIWTWZNXAWBJWGO-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.93
Rot. Bonds11

About N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide (PubChem CID 106161745) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
PubChem CID106161745
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC NameN'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
SMILESCC(CO)CCCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O2/c1-12(11-18)7-6-10-16-9-5-4-8-14(2,3)13(15)17-19/h12,16,18-19H,4-11H2,1-3H3,(H2,15,17)
InChIKeyIWTWZNXAWBJWGO-UHFFFAOYSA-N
XLogP1.93
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.93
H-Bond Donors ≤ 54
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

6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide
CID 106711613
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
CID 106711562
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
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711564
N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
CID 106711655
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide (CID 106161745) is N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide is CC(CO)CCCNCCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide?
The InChIKey is IWTWZNXAWBJWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-12(11-18)7-6-10-16-9-5-4-8-14(2,3)13(15)17-19/h12,16,18-19H,4-11H2,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide has a molecular weight of 273.42 g/mol, XLogP of 1.93, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106161745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).