N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine

C17H21N3O — CID 15581

IUPACN-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine
SMILESCN(C)c1ccc(C(=NO)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H21N3O/c1-19(2)15-9-5-13(6-10-15)17(18-21)14-7-11-16(12-8-14)20(3)4/h5-12,21H,1-4H3
InChIKeyRHVSVZXFVMCNAT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.05
Rot. Bonds4

About N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine

N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine (PubChem CID 15581) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine
PubChem CID15581
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine
SMILESCN(C)c1ccc(C(=NO)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H21N3O/c1-19(2)15-9-5-13(6-10-15)17(18-21)14-7-11-16(12-8-14)20(3)4/h5-12,21H,1-4H3
InChIKeyRHVSVZXFVMCNAT-UHFFFAOYSA-N
XLogP3.05
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine (CID 15581) is N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine is CN(C)c1ccc(C(=NO)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine?
The InChIKey is RHVSVZXFVMCNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19(2)15-9-5-13(6-10-15)17(18-21)14-7-11-16(12-8-14)20(3)4/h5-12,21H,1-4H3.
What are the key properties of N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine?
N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine has a molecular weight of 283.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[4-(dimethylamino)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 15581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).