5-butoxy-N'-hydroxypentanimidamide

C9H20N2O2 — CID 109374755

IUPAC5-butoxy-N'-hydroxypentanimidamide
SMILESCCCCOCCCC/C(N)=N/O
InChIInChI=1S/C9H20N2O2/c1-2-3-7-13-8-5-4-6-9(10)11-12/h12H,2-8H2,1H3,(H2,10,11)
InChIKeyHOOASQLTZVHXKZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.72
Rot. Bonds8

About 5-butoxy-N'-hydroxypentanimidamide

5-butoxy-N'-hydroxypentanimidamide (PubChem CID 109374755) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-butoxy-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-butoxy-N'-hydroxypentanimidamide
PubChem CID109374755
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name5-butoxy-N'-hydroxypentanimidamide
SMILESCCCCOCCCC/C(N)=N/O
InChIInChI=1S/C9H20N2O2/c1-2-3-7-13-8-5-4-6-9(10)11-12/h12H,2-8H2,1H3,(H2,10,11)
InChIKeyHOOASQLTZVHXKZ-UHFFFAOYSA-N
XLogP1.72
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 5-butoxy-N'-hydroxypentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-heptoxy-N'-hydroxypropanimidamide
CID 43128360
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
CID 77030771
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
5-(3-ethoxypropylamino)-N'-hydroxypentanimidamide
CID 77025981
2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927576
N'-hydroxy-5-(4-methylcyclohexyl)oxypentanimidamide
CID 109374692
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654
5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
N'-hydroxy-4-octan-2-yloxybutanimidamide
CID 43128354
1-butoxydotriacontane
CID 91693232
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1,10-bis(2-butoxyethoxy)decane
CID 90257337

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-N'-hydroxypentanimidamide?
The IUPAC name of 5-butoxy-N'-hydroxypentanimidamide (CID 109374755) is 5-butoxy-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-butoxy-N'-hydroxypentanimidamide?
The canonical SMILES for 5-butoxy-N'-hydroxypentanimidamide is CCCCOCCCC/C(N)=N/O.
What is the InChIKey of 5-butoxy-N'-hydroxypentanimidamide?
The InChIKey is HOOASQLTZVHXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-2-3-7-13-8-5-4-6-9(10)11-12/h12H,2-8H2,1H3,(H2,10,11).
What are the key properties of 5-butoxy-N'-hydroxypentanimidamide?
5-butoxy-N'-hydroxypentanimidamide has a molecular weight of 188.27 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-N'-hydroxypentanimidamide is sourced from PubChem (CID 109374755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).