5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide

C13H22N4O — CID 77029852

IUPAC5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide
SMILESCN(C)c1ccc(NCCCCC(N)=NO)cc1
InChIInChI=1S/C13H22N4O/c1-17(2)12-8-6-11(7-9-12)15-10-4-3-5-13(14)16-18/h6-9,15,18H,3-5,10H2,1-2H3,(H2,14,16)
InChIKeyHEVDKMADOUCHPM-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.08
Rot. Bonds7

About 5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide

5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide (PubChem CID 77029852) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide
PubChem CID77029852
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide
SMILESCN(C)c1ccc(NCCCCC(N)=NO)cc1
InChIInChI=1S/C13H22N4O/c1-17(2)12-8-6-11(7-9-12)15-10-4-3-5-13(14)16-18/h6-9,15,18H,3-5,10H2,1-2H3,(H2,14,16)
InChIKeyHEVDKMADOUCHPM-UHFFFAOYSA-N
XLogP2.08
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.08
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

4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031382
N'-hydroxy-4-(4-methylanilino)butanimidamide
CID 77025485
4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide
CID 77025709
3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide
CID 77031082
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
N'-hydroxy-5-(3-methylanilino)pentanimidamide
CID 77025899
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
5-(3,5-dichloroanilino)-N'-hydroxypentanimidamide
CID 77025830
methyl 4-[4-(dimethylamino)anilino]butanoate
CID 43617051
4-N,4-N-dimethyl-1-N-(4-methylpentyl)benzene-1,4-diamine
CID 83155630
5-(3-fluoro-5-methoxyanilino)-N'-hydroxypentanimidamide
CID 114263134
5-(3-bromo-5-methoxyanilino)-N'-hydroxypentanimidamide
CID 82867428

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide (CID 77029852) is 5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide is CN(C)c1ccc(NCCCCC(N)=NO)cc1.
What is the InChIKey of 5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide?
The InChIKey is HEVDKMADOUCHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17(2)12-8-6-11(7-9-12)15-10-4-3-5-13(14)16-18/h6-9,15,18H,3-5,10H2,1-2H3,(H2,14,16).
What are the key properties of 5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide?
5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide has a molecular weight of 250.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77029852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).