N'-hydroxy-4-(3-methoxypropylamino)butanimidamide

C8H19N3O2 — CID 77027942

IUPACN'-hydroxy-4-(3-methoxypropylamino)butanimidamide
SMILESCOCCCNCCCC(N)=NO
InChIInChI=1S/C8H19N3O2/c1-13-7-3-6-10-5-2-4-8(9)11-12/h10,12H,2-7H2,1H3,(H2,9,11)
InChIKeyILKWAXRCABRPDD-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.14
Rot. Bonds8

About N'-hydroxy-4-(3-methoxypropylamino)butanimidamide

N'-hydroxy-4-(3-methoxypropylamino)butanimidamide (PubChem CID 77027942) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methoxypropylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methoxypropylamino)butanimidamide
PubChem CID77027942
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-4-(3-methoxypropylamino)butanimidamide
SMILESCOCCCNCCCC(N)=NO
InChIInChI=1S/C8H19N3O2/c1-13-7-3-6-10-5-2-4-8(9)11-12/h10,12H,2-7H2,1H3,(H2,9,11)
InChIKeyILKWAXRCABRPDD-UHFFFAOYSA-N
XLogP0.14
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
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-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide
CID 77030327
5-(3-ethoxypropylamino)-N'-hydroxypentanimidamide
CID 77025981
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030580
N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide
CID 107317932
N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
CID 77036941
N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide
CID 77036734
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
CID 77030771
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methoxypropylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(3-methoxypropylamino)butanimidamide (CID 77027942) is N'-hydroxy-4-(3-methoxypropylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methoxypropylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(3-methoxypropylamino)butanimidamide is COCCCNCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-(3-methoxypropylamino)butanimidamide?
The InChIKey is ILKWAXRCABRPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-13-7-3-6-10-5-2-4-8(9)11-12/h10,12H,2-7H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-4-(3-methoxypropylamino)butanimidamide?
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide has a molecular weight of 189.26 g/mol, XLogP of 0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methoxypropylamino)butanimidamide is sourced from PubChem (CID 77027942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).