4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide

C9H22N4O — CID 77029991

IUPAC4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
SMILESCN(C)CCCNCCCC(N)=NO
InChIInChI=1S/C9H22N4O/c1-13(2)8-4-7-11-6-3-5-9(10)12-14/h11,14H,3-8H2,1-2H3,(H2,10,12)
InChIKeyIZZQVHDJYZVVJO-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.05
Rot. Bonds8

About 4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide

4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide (PubChem CID 77029991) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
PubChem CID77029991
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
SMILESCN(C)CCCNCCCC(N)=NO
InChIInChI=1S/C9H22N4O/c1-13(2)8-4-7-11-6-3-5-9(10)12-14/h11,14H,3-8H2,1-2H3,(H2,10,12)
InChIKeyIZZQVHDJYZVVJO-UHFFFAOYSA-N
XLogP0.05
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.05
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

4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide
CID 77030327
N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide
CID 107317932
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
CID 77029969
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
CID 51713838

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide (CID 77029991) is 4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide is CN(C)CCCNCCCC(N)=NO.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide?
The InChIKey is IZZQVHDJYZVVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-13(2)8-4-7-11-6-3-5-9(10)12-14/h11,14H,3-8H2,1-2H3,(H2,10,12).
What are the key properties of 4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide?
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide has a molecular weight of 202.30 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77029991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).