N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide

C15H31N3O3 — CID 106711667

IUPACN'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
SMILESCN(CCCCC(C)(C)C(N)=NO)CC1(O)CCOCC1
InChIInChI=1S/C15H31N3O3/c1-14(2,13(16)17-20)6-4-5-9-18(3)12-15(19)7-10-21-11-8-15/h19-20H,4-12H2,1-3H3,(H2,16,17)
InChIKeyFYZJIUCOYDCZJA-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.40
Rot. Bonds8

About N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide (PubChem CID 106711667) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
PubChem CID106711667
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC NameN'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
SMILESCN(CCCCC(C)(C)C(N)=NO)CC1(O)CCOCC1
InChIInChI=1S/C15H31N3O3/c1-14(2,13(16)17-20)6-4-5-9-18(3)12-15(19)7-10-21-11-8-15/h19-20H,4-12H2,1-3H3,(H2,16,17)
InChIKeyFYZJIUCOYDCZJA-UHFFFAOYSA-N
XLogP1.40
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide 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

N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 77063795
N'-hydroxy-2,2-dimethyl-5-[methyl(oxan-2-ylmethyl)amino]pentanimidamide
CID 77063827
N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]pentanimidamide
CID 81130472
N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methylamino]-2,2-dimethylbutanimidamide
CID 81130556
N'-hydroxy-2-[1-[[(4-hydroxyoxan-4-yl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 81130813
N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]-2,2-dimethylpentanimidamide
CID 81131336
N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 102958303
N'-hydroxy-4-(3-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 104876713
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanimidamide
CID 104985390
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide
CID 104985391
N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide
CID 104985392
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide
CID 104985393

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide (CID 106711667) is N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide is CN(CCCCC(C)(C)C(N)=NO)CC1(O)CCOCC1.
What is the InChIKey of N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The InChIKey is FYZJIUCOYDCZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-14(2,13(16)17-20)6-4-5-9-18(3)12-15(19)7-10-21-11-8-15/h19-20H,4-12H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide has a molecular weight of 301.43 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).