N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide

C10H19N3O2 — CID 77021433

IUPACN'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide
SMILESCC1CCCCCN1C(=O)CC(N)=NO
InChIInChI=1S/C10H19N3O2/c1-8-5-3-2-4-6-13(8)10(14)7-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyLICGAKPKKHIVEV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.91
Rot. Bonds2

About N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide

N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide (PubChem CID 77021433) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide
PubChem CID77021433
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide
SMILESCC1CCCCCN1C(=O)CC(N)=NO
InChIInChI=1S/C10H19N3O2/c1-8-5-3-2-4-6-13(8)10(14)7-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyLICGAKPKKHIVEV-UHFFFAOYSA-N
XLogP0.91
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide
CID 43542531
2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone
CID 79854226
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 76926751
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide (CID 77021433) is N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide is CC1CCCCCN1C(=O)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide?
The InChIKey is LICGAKPKKHIVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8-5-3-2-4-6-13(8)10(14)7-9(11)12-15/h8,15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide?
N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide has a molecular weight of 213.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide is sourced from PubChem (CID 77021433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).