2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide

C14H24N4O — CID 77031381

IUPAC2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
SMILESCCC(Nc1ccc(N(CC)CC)cc1)C(N)=NO
InChIInChI=1S/C14H24N4O/c1-4-13(14(15)17-19)16-11-7-9-12(10-8-11)18(5-2)6-3/h7-10,13,16,19H,4-6H2,1-3H3,(H2,15,17)
InChIKeyKEQSHLXJOXZLBO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.47
Rot. Bonds7

About 2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide

2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide (PubChem CID 77031381) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
PubChem CID77031381
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
SMILESCCC(Nc1ccc(N(CC)CC)cc1)C(N)=NO
InChIInChI=1S/C14H24N4O/c1-4-13(14(15)17-19)16-11-7-9-12(10-8-11)18(5-2)6-3/h7-10,13,16,19H,4-6H2,1-3H3,(H2,15,17)
InChIKeyKEQSHLXJOXZLBO-UHFFFAOYSA-N
XLogP2.47
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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': '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

2-(3-ethylanilino)-N'-hydroxybutanimidamide
CID 77027287
3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide
CID 77031082
4-N,4-N-diethyl-1-N-hexan-3-ylbenzene-1,4-diamine
CID 114079510
2-[4-(dimethylamino)anilino]butanamide
CID 62900216
4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031382
[4-(diethylamino)phenyl]urea;hydrochloride
CID 140506859
4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 43680171
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N-[4-(diethylamino)phenyl]-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80598069
2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide
CID 82820343
2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
CID 83015704
2-(2-benzylanilino)-N'-hydroxybutanimidamide
CID 77025350

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide (CID 77031381) is 2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide is CCC(Nc1ccc(N(CC)CC)cc1)C(N)=NO.
What is the InChIKey of 2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide?
The InChIKey is KEQSHLXJOXZLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-13(14(15)17-19)16-11-7-9-12(10-8-11)18(5-2)6-3/h7-10,13,16,19H,4-6H2,1-3H3,(H2,15,17).
What are the key properties of 2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide?
2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide has a molecular weight of 264.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77031381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).