2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide

C15H26N4O — CID 107109308

IUPAC2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCCN(CCN(C)C)c1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C15H26N4O/c1-5-9-19(11-10-18(3)4)14-12(2)7-6-8-13(14)15(16)17-20/h6-8,20H,5,9-11H2,1-4H3,(H2,16,17)
InChIKeyRENYMEZMCZWWFW-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.87
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide

2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109308) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109308
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCCN(CCN(C)C)c1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C15H26N4O/c1-5-9-19(11-10-18(3)4)14-12(2)7-6-8-13(14)15(16)17-20/h6-8,20H,5,9-11H2,1-4H3,(H2,16,17)
InChIKeyRENYMEZMCZWWFW-UHFFFAOYSA-N
XLogP1.87
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.87
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

N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107109142
N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide
CID 107109251
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
2-bromo-4-[2-(dimethylamino)ethyl-propylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107535921
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109419
N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107109273
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109255
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine
CID 115549884
2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109104
N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide
CID 107110903
methyl 3-amino-2-[2-(dimethylamino)ethyl-propylamino]benzoate
CID 115934745

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109308) is 2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide is CCCN(CCN(C)C)c1c(C)cccc1/C(N)=N/O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is RENYMEZMCZWWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-9-19(11-10-18(3)4)14-12(2)7-6-8-13(14)15(16)17-20/h6-8,20H,5,9-11H2,1-4H3,(H2,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide?
2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 278.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).