N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide

C11H23N3O2 — CID 107404800

IUPACN'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
SMILESCC1(O)CCCN(CCCC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-11(15)5-3-8-14(9-6-11)7-2-4-10(12)13-16/h15-16H,2-9H2,1H3,(H2,12,13)
InChIKeyDJAVQHMEDCQUJS-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.75
Rot. Bonds4

About N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide

N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide (PubChem CID 107404800) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
PubChem CID107404800
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
SMILESCC1(O)CCCN(CCCC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-11(15)5-3-8-14(9-6-11)7-2-4-10(12)13-16/h15-16H,2-9H2,1H3,(H2,12,13)
InChIKeyDJAVQHMEDCQUJS-UHFFFAOYSA-N
XLogP0.75
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.75
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
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-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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide (CID 107404800) is N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide is CC1(O)CCCN(CCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide?
The InChIKey is DJAVQHMEDCQUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(15)5-3-8-14(9-6-11)7-2-4-10(12)13-16/h15-16H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide?
N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide is sourced from PubChem (CID 107404800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).