N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide

C13H26N6O — CID 106711154

IUPACN'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide
SMILESCn1cnnc1CCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H26N6O/c1-13(2,12(14)18-20)7-4-5-8-15-9-6-11-17-16-10-19(11)3/h10,15,20H,4-9H2,1-3H3,(H2,14,18)
InChIKeyHEIVCFRSWBNMDI-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.89
Rot. Bonds9

About N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide

N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide (PubChem CID 106711154) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide
PubChem CID106711154
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC NameN'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide
SMILESCn1cnnc1CCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H26N6O/c1-13(2,12(14)18-20)7-4-5-8-15-9-6-11-17-16-10-19(11)3/h10,15,20H,4-9H2,1-3H3,(H2,14,18)
InChIKeyHEIVCFRSWBNMDI-UHFFFAOYSA-N
XLogP0.89
TPSA101.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide (CID 106711154) is N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide is Cn1cnnc1CCNCCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide?
The InChIKey is HEIVCFRSWBNMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-13(2,12(14)18-20)7-4-5-8-15-9-6-11-17-16-10-19(11)3/h10,15,20H,4-9H2,1-3H3,(H2,14,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide has a molecular weight of 282.39 g/mol, XLogP of 0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide is sourced from PubChem (CID 106711154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).