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

C9H20N2O3 — CID 114995164

IUPACN'-hydroxy-3-(3-methoxypropoxy)pentanimidamide
SMILESCCC(C/C(N)=N/O)OCCCOC
InChIInChI=1S/C9H20N2O3/c1-3-8(7-9(10)11-12)14-6-4-5-13-2/h8,12H,3-7H2,1-2H3,(H2,10,11)
InChIKeyLIKSXQJKCAZHGI-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.95
Rot. Bonds8

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

N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide (PubChem CID 114995164) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methoxypropoxy)pentanimidamide
PubChem CID114995164
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC NameN'-hydroxy-3-(3-methoxypropoxy)pentanimidamide
SMILESCCC(C/C(N)=N/O)OCCCOC
InChIInChI=1S/C9H20N2O3/c1-3-8(7-9(10)11-12)14-6-4-5-13-2/h8,12H,3-7H2,1-2H3,(H2,10,11)
InChIKeyLIKSXQJKCAZHGI-UHFFFAOYSA-N
XLogP0.95
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.95
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

N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
CID 103180044
N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide
CID 103177865
2-(3-methoxypropoxy)butanamide
CID 62899538
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide
CID 76994145
N'-hydroxy-3-phenoxypentanimidamide
CID 43368248
N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
CID 106189726
3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide
CID 76912544
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030890
ethyl 2-(3-methoxypropoxy)butanoate
CID 64661459
1-[3-(3-methoxypropoxy)propoxy]propan-1-ol
CID 23620031

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide (CID 114995164) is N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide is CCC(C/C(N)=N/O)OCCCOC.
What is the InChIKey of N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide?
The InChIKey is LIKSXQJKCAZHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-3-8(7-9(10)11-12)14-6-4-5-13-2/h8,12H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide?
N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide has a molecular weight of 204.27 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide is sourced from PubChem (CID 114995164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).