4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide

C15H25ClN4O — CID 76985058

IUPAC4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCC(C)CN(CCN(C)C)c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C15H25ClN4O/c1-11(2)10-20(8-7-19(3)4)14-9-12(16)5-6-13(14)15(17)18-21/h5-6,9,11,21H,7-8,10H2,1-4H3,(H2,17,18)
InChIKeyUIXYHNDMNAMDKE-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.46
Rot. Bonds7

About 4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide

4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 76985058) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID76985058
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCC(C)CN(CCN(C)C)c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C15H25ClN4O/c1-11(2)10-20(8-7-19(3)4)14-9-12(16)5-6-13(14)15(17)18-21/h5-6,9,11,21H,7-8,10H2,1-4H3,(H2,17,18)
InChIKeyUIXYHNDMNAMDKE-UHFFFAOYSA-N
XLogP2.46
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide (CID 76985058) is 4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide is CC(C)CN(CCN(C)C)c1cc(Cl)ccc1C(N)=NO.
What is the InChIKey of 4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is UIXYHNDMNAMDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-11(2)10-20(8-7-19(3)4)14-9-12(16)5-6-13(14)15(17)18-21/h5-6,9,11,21H,7-8,10H2,1-4H3,(H2,17,18).
What are the key properties of 4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide?
4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 312.85 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76985058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).