N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide

C10H21N3O2 — CID 107404791

IUPACN'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
SMILESCC1(O)CCCN(CCC(N)=NO)CC1
InChIInChI=1S/C10H21N3O2/c1-10(14)4-2-6-13(8-5-10)7-3-9(11)12-15/h14-15H,2-8H2,1H3,(H2,11,12)
InChIKeyOMLAAIPUUAPESG-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.36
Rot. Bonds3

About N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide

N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide (PubChem CID 107404791) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
PubChem CID107404791
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
SMILESCC1(O)CCCN(CCC(N)=NO)CC1
InChIInChI=1S/C10H21N3O2/c1-10(14)4-2-6-13(8-5-10)7-3-9(11)12-15/h14-15H,2-8H2,1H3,(H2,11,12)
InChIKeyOMLAAIPUUAPESG-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxy-4-methylazepan-1-yl)methyl]propanimidamide
CID 107404777
N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]ethanimidamide
CID 112737689
3,3,3-Trifluoro-2-[(4-hydroxy-4-methylazepan-1-yl)methyl]propanimidamide
CID 113955221
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropanimidamide
CID 107404776
N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethylhexanimidamide
CID 107404779
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-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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide (CID 107404791) is N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide is CC1(O)CCCN(CCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide?
The InChIKey is OMLAAIPUUAPESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(14)4-2-6-13(8-5-10)7-3-9(11)12-15/h14-15H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide?
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide is sourced from PubChem (CID 107404791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).