N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide

C15H31N3O2 — CID 107404779

IUPACN'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide
SMILESCC1(O)CCCN(CCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C15H31N3O2/c1-14(2,13(16)17-20)7-4-5-10-18-11-6-8-15(3,19)9-12-18/h19-20H,4-12H2,1-3H3,(H2,16,17)
InChIKeyDWLOQSUSJWMQBZ-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.17
Rot. Bonds6

About N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide

N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide (PubChem CID 107404779) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide
PubChem CID107404779
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide
SMILESCC1(O)CCCN(CCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C15H31N3O2/c1-14(2,13(16)17-20)7-4-5-10-18-11-6-8-15(3,19)9-12-18/h19-20H,4-12H2,1-3H3,(H2,16,17)
InChIKeyDWLOQSUSJWMQBZ-UHFFFAOYSA-N
XLogP2.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
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'}

Analyze N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-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-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 81115845
N'-hydroxy-6-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylhexanimidamide
CID 106711445
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropanimidamide
CID 107404776
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404781
N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylbutanimidamide
CID 107404785
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
CID 107404787
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
CID 107404791
N'-hydroxy-2-[1-[(4-hydroxy-4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
CID 107404792
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404795
N'-hydroxy-5-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylpentanimidamide
CID 107404796
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide
CID 107404797
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide
CID 107404798

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide (CID 107404779) is N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide is CC1(O)CCCN(CCCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide?
The InChIKey is DWLOQSUSJWMQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-14(2,13(16)17-20)7-4-5-10-18-11-6-8-15(3,19)9-12-18/h19-20H,4-12H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide?
N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide has a molecular weight of 285.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide is sourced from PubChem (CID 107404779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).