N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide

C9H20N2O3 — CID 109374764

IUPACN'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
SMILESCOCCCOCCCC/C(N)=N/O
InChIInChI=1S/C9H20N2O3/c1-13-6-4-8-14-7-3-2-5-9(10)11-12/h12H,2-8H2,1H3,(H2,10,11)
InChIKeyBWBMALHJBCLNGG-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.96
Rot. Bonds9

About N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide

N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide (PubChem CID 109374764) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
PubChem CID109374764
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC NameN'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
SMILESCOCCCOCCCC/C(N)=N/O
InChIInChI=1S/C9H20N2O3/c1-13-6-4-8-14-7-3-2-5-9(10)11-12/h12H,2-8H2,1H3,(H2,10,11)
InChIKeyBWBMALHJBCLNGG-UHFFFAOYSA-N
XLogP0.96
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
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'}

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Related Compounds

5-butoxy-N'-hydroxypentanimidamide
CID 109374755
5-(3-methoxypropoxy)pentanamide
CID 135179275
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
3-heptoxy-N'-hydroxypropanimidamide
CID 43128360
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
CID 103180044
N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
CID 77036941
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
CID 103409985
4-(3-methoxypropoxy)butanethioamide
CID 60917615
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
CID 77030771

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide (CID 109374764) is N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide is COCCCOCCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide?
The InChIKey is BWBMALHJBCLNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-13-6-4-8-14-7-3-2-5-9(10)11-12/h12H,2-8H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide?
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide has a molecular weight of 204.27 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide is sourced from PubChem (CID 109374764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).