4-(dimethylamino)-N'-hydroxybutanimidamide

C6H15N3O — CID 74314081

IUPAC4-(dimethylamino)-N'-hydroxybutanimidamide
SMILESCN(C)CCCC(N)=NO
InChIInChI=1S/C6H15N3O/c1-9(2)5-3-4-6(7)8-10/h10H,3-5H2,1-2H3,(H2,7,8)
InChIKeyIRHUQUBXVJCDJH-UHFFFAOYSA-N
MW145.21 g/mol
LogP0.07
Rot. Bonds4

About 4-(dimethylamino)-N'-hydroxybutanimidamide

4-(dimethylamino)-N'-hydroxybutanimidamide (PubChem CID 74314081) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 4-(dimethylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(dimethylamino)-N'-hydroxybutanimidamide
PubChem CID74314081
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name4-(dimethylamino)-N'-hydroxybutanimidamide
SMILESCN(C)CCCC(N)=NO
InChIInChI=1S/C6H15N3O/c1-9(2)5-3-4-6(7)8-10/h10H,3-5H2,1-2H3,(H2,7,8)
InChIKeyIRHUQUBXVJCDJH-UHFFFAOYSA-N
XLogP0.07
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 50.07
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

4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551
(NZ)-N-[5-(dimethylamino)pentan-2-ylidene]hydroxylamine
CID 19064701
N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide
CID 104869240
N'-hydroxy-4-[methyl(2-methylbutyl)amino]butanimidamide
CID 43295873
4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 43569199
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093
5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76928038
N'-hydroxy-3-[methyl(octyl)amino]propanimidamide
CID 43129496
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
4-[(4-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61415732

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(dimethylamino)-N'-hydroxybutanimidamide (CID 74314081) is 4-(dimethylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(dimethylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(dimethylamino)-N'-hydroxybutanimidamide is CN(C)CCCC(N)=NO.
What is the InChIKey of 4-(dimethylamino)-N'-hydroxybutanimidamide?
The InChIKey is IRHUQUBXVJCDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-9(2)5-3-4-6(7)8-10/h10H,3-5H2,1-2H3,(H2,7,8).
What are the key properties of 4-(dimethylamino)-N'-hydroxybutanimidamide?
4-(dimethylamino)-N'-hydroxybutanimidamide has a molecular weight of 145.21 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 74314081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).