2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide

C14H24N4O — CID 107929934

IUPAC2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N(C)CCCN(C)C)c(/C(N)=N/O)c1
InChIInChI=1S/C14H24N4O/c1-11-6-7-13(12(10-11)14(15)16-19)18(4)9-5-8-17(2)3/h6-7,10,19H,5,8-9H2,1-4H3,(H2,15,16)
InChIKeyUFSIWGHVUXAOCO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.48
Rot. Bonds6

About 2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide

2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107929934) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107929934
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCc1ccc(N(C)CCCN(C)C)c(/C(N)=N/O)c1
InChIInChI=1S/C14H24N4O/c1-11-6-7-13(12(10-11)14(15)16-19)18(4)9-5-8-17(2)3/h6-7,10,19H,5,8-9H2,1-4H3,(H2,15,16)
InChIKeyUFSIWGHVUXAOCO-UHFFFAOYSA-N
XLogP1.48
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(dimethylamino)propyl-methylamino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017330
N'-hydroxy-5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 114017229
2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929726
N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 107929771
2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929799
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929819
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930031
N'-hydroxy-2-[methyl(pentyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43294939
2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929880
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
CID 107929997
N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 77070455

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107929934) is 2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide is Cc1ccc(N(C)CCCN(C)C)c(/C(N)=N/O)c1.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is UFSIWGHVUXAOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-6-7-13(12(10-11)14(15)16-19)18(4)9-5-8-17(2)3/h6-7,10,19H,5,8-9H2,1-4H3,(H2,15,16).
What are the key properties of 2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide?
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 264.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107929934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).