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

C12H24N6O — CID 106711569

IUPACN'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide
SMILESCC(C)(CCCCNCCn1ccnn1)/C(N)=N/O
InChIInChI=1S/C12H24N6O/c1-12(2,11(13)16-19)5-3-4-6-14-7-9-18-10-8-15-17-18/h8,10,14,19H,3-7,9H2,1-2H3,(H2,13,16)
InChIKeyWEJPNGVZQSBLQZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.81
Rot. Bonds9

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

N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide (PubChem CID 106711569) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide
PubChem CID106711569
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC NameN'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide
SMILESCC(C)(CCCCNCCn1ccnn1)/C(N)=N/O
InChIInChI=1S/C12H24N6O/c1-12(2,11(13)16-19)5-3-4-6-14-7-9-18-10-8-15-17-18/h8,10,14,19H,3-7,9H2,1-2H3,(H2,13,16)
InChIKeyWEJPNGVZQSBLQZ-UHFFFAOYSA-N
XLogP0.81
TPSA101.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.81
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'}

Analyze N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5,5-dimethylhexyl)-N-methyltriazol-4-amine
CID 167213653
2-methyl-N-[2-(triazol-1-yl)ethyl]pentan-1-amine
CID 104098891
2-methyl-N-[4-(triazol-1-yl)butyl]pentan-1-amine
CID 104099148
3,3-dimethyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine
CID 104443075
4-methyl-N-[2-(triazol-1-yl)ethyl]pentan-1-amine
CID 104444601
N'-hydroxy-2-methyl-3-[2-(triazol-1-yl)ethylamino]propanimidamide
CID 104446096
N'-hydroxy-2-[1-[[2-(triazol-1-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 104446106
N'-hydroxy-3-[2-(triazol-1-yl)ethylamino]butanimidamide
CID 104446107
N'-hydroxy-3-[2-(triazol-1-yl)ethylamino]pentanimidamide
CID 104446108
N'-hydroxy-5-[2-(triazol-1-yl)ethylamino]pentanimidamide
CID 104446110
N'-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanimidamide
CID 104446113
N'-hydroxy-2-[2-(triazol-1-yl)ethylamino]butanimidamide
CID 104446115

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide (CID 106711569) is N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide is CC(C)(CCCCNCCn1ccnn1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide?
The InChIKey is WEJPNGVZQSBLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-12(2,11(13)16-19)5-3-4-6-14-7-9-18-10-8-15-17-18/h8,10,14,19H,3-7,9H2,1-2H3,(H2,13,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide has a molecular weight of 268.36 g/mol, XLogP of 0.81, 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-(triazol-1-yl)ethylamino]hexanimidamide is sourced from PubChem (CID 106711569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).