4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide

C14H24N4O — CID 77031382

IUPAC4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
SMILESCCN(CC)c1ccc(NCCCC(N)=NO)cc1
InChIInChI=1S/C14H24N4O/c1-3-18(4-2)13-9-7-12(8-10-13)16-11-5-6-14(15)17-19/h7-10,16,19H,3-6,11H2,1-2H3,(H2,15,17)
InChIKeyBLUGYESKPSRIAC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.47
Rot. Bonds8

About 4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide

4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide (PubChem CID 77031382) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
PubChem CID77031382
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
SMILESCCN(CC)c1ccc(NCCCC(N)=NO)cc1
InChIInChI=1S/C14H24N4O/c1-3-18(4-2)13-9-7-12(8-10-13)16-11-5-6-14(15)17-19/h7-10,16,19H,3-6,11H2,1-2H3,(H2,15,17)
InChIKeyBLUGYESKPSRIAC-UHFFFAOYSA-N
XLogP2.47
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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'}

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Related Compounds

3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide
CID 77031082
5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide
CID 77029852
N'-hydroxy-4-(4-methylanilino)butanimidamide
CID 77025485
5-[4-(diethylamino)anilino]pentanoic acid
CID 63180274
3-[4-(diethylamino)anilino]propanimidamide
CID 83967876
4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
CID 43680115
4-N,4-N-diethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 115513702
4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide
CID 77025709
3-(N-ethyl-4-methylanilino)-N'-hydroxypropanimidamide
CID 76931165
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide
CID 76931380
N'-hydroxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]butanimidamide
CID 77026815

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide (CID 77031382) is 4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide is CCN(CC)c1ccc(NCCCC(N)=NO)cc1.
What is the InChIKey of 4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide?
The InChIKey is BLUGYESKPSRIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-18(4-2)13-9-7-12(8-10-13)16-11-5-6-14(15)17-19/h7-10,16,19H,3-6,11H2,1-2H3,(H2,15,17).
What are the key properties of 4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide?
4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide has a molecular weight of 264.37 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77031382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).