4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline

C13H17N3O — CID 105305795

IUPAC4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(NN)c2ccoc2)cc1
InChIInChI=1S/C13H17N3O/c1-16(2)12-5-3-10(4-6-12)13(15-14)11-7-8-17-9-11/h3-9,13,15H,14H2,1-2H3
InChIKeyWCALDQFTIMULFV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.90
Rot. Bonds4

About 4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline

4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline (PubChem CID 105305795) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline
PubChem CID105305795
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(NN)c2ccoc2)cc1
InChIInChI=1S/C13H17N3O/c1-16(2)12-5-3-10(4-6-12)13(15-14)11-7-8-17-9-11/h3-9,13,15H,14H2,1-2H3
InChIKeyWCALDQFTIMULFV-UHFFFAOYSA-N
XLogP1.90
TPSA54.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]hydrazine
CID 105305835
[2,3-dihydro-1H-inden-5-yl(furan-3-yl)methyl]hydrazine
CID 105305866
4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline
CID 105287491
4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline
CID 105177745
4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105323075
[furan-3-yl-(2,3,4-trimethoxyphenyl)methyl]hydrazine
CID 105305814
4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline
CID 53403073
3-(furan-3-yl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259357
4-(1-hydrazinyl-2,2-dimethylpropyl)-N,N-dimethylaniline
CID 105305247
3-[hydrazinyl(phenyl)methyl]-N,N-dimethylaniline
CID 105282900
4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline
CID 105339001
3-[furan-3-yl(hydrazinyl)methyl]pyridin-2-amine
CID 105221322

Frequently Asked Questions

What is the IUPAC name of 4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline (CID 105305795) is 4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(NN)c2ccoc2)cc1.
What is the InChIKey of 4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline?
The InChIKey is WCALDQFTIMULFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(2)12-5-3-10(4-6-12)13(15-14)11-7-8-17-9-11/h3-9,13,15H,14H2,1-2H3.
What are the key properties of 4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline?
4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline has a molecular weight of 231.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105305795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).