4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline

C16H21N3 — CID 24847053

IUPAC4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNNCc2ccccc2)cc1
InChIInChI=1S/C16H21N3/c1-19(2)16-10-8-15(9-11-16)13-18-17-12-14-6-4-3-5-7-14/h3-11,17-18H,12-13H2,1-2H3
InChIKeyWAXKMWGQPQLHKE-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.55
Rot. Bonds6

About 4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline

4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline (PubChem CID 24847053) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline
PubChem CID24847053
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNNCc2ccccc2)cc1
InChIInChI=1S/C16H21N3/c1-19(2)16-10-8-15(9-11-16)13-18-17-12-14-6-4-3-5-7-14/h3-11,17-18H,12-13H2,1-2H3
InChIKeyWAXKMWGQPQLHKE-UHFFFAOYSA-N
XLogP2.55
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline (CID 24847053) is 4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNNCc2ccccc2)cc1.
What is the InChIKey of 4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline?
The InChIKey is WAXKMWGQPQLHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19(2)16-10-8-15(9-11-16)13-18-17-12-14-6-4-3-5-7-14/h3-11,17-18H,12-13H2,1-2H3.
What are the key properties of 4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline?
4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline has a molecular weight of 255.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzylhydrazinyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 24847053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).