3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide

C13H22N4O — CID 77031082

IUPAC3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide
SMILESCCN(CC)c1ccc(NCCC(N)=NO)cc1
InChIInChI=1S/C13H22N4O/c1-3-17(4-2)12-7-5-11(6-8-12)15-10-9-13(14)16-18/h5-8,15,18H,3-4,9-10H2,1-2H3,(H2,14,16)
InChIKeyROFQEWNSDCPSSL-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.08
Rot. Bonds7

About 3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide

3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide (PubChem CID 77031082) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide
PubChem CID77031082
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide
SMILESCCN(CC)c1ccc(NCCC(N)=NO)cc1
InChIInChI=1S/C13H22N4O/c1-3-17(4-2)12-7-5-11(6-8-12)15-10-9-13(14)16-18/h5-8,15,18H,3-4,9-10H2,1-2H3,(H2,14,16)
InChIKeyROFQEWNSDCPSSL-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': '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-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031382
3-[4-(diethylamino)anilino]propanimidamide
CID 83967876
5-[4-(dimethylamino)anilino]-N'-hydroxypentanimidamide
CID 77029852
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-(4-methylanilino)butanimidamide
CID 77025485
5-[4-(diethylamino)anilino]pentanoic acid
CID 63180274
2-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031381
3-[4-(diethylamino)anilino]propanenitrile
CID 39261332
4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine
CID 55158057
N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide
CID 109036938

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide (CID 77031082) is 3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide is CCN(CC)c1ccc(NCCC(N)=NO)cc1.
What is the InChIKey of 3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide?
The InChIKey is ROFQEWNSDCPSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17(4-2)12-7-5-11(6-8-12)15-10-9-13(14)16-18/h5-8,15,18H,3-4,9-10H2,1-2H3,(H2,14,16).
What are the key properties of 3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide?
3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide 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 3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77031082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).