4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline

C16H27N3O — CID 105314018

IUPAC4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CCCC2CCCO2)NN)cc1
InChIInChI=1S/C16H27N3O/c1-19(2)14-10-8-13(9-11-14)16(18-17)7-3-5-15-6-4-12-20-15/h8-11,15-16,18H,3-7,12,17H2,1-2H3
InChIKeyFSJZTDQMWVSIHE-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.61
Rot. Bonds7

About 4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline

4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline (PubChem CID 105314018) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline
PubChem CID105314018
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CCCC2CCCO2)NN)cc1
InChIInChI=1S/C16H27N3O/c1-19(2)14-10-8-13(9-11-14)16(18-17)7-3-5-15-6-4-12-20-15/h8-11,15-16,18H,3-7,12,17H2,1-2H3
InChIKeyFSJZTDQMWVSIHE-UHFFFAOYSA-N
XLogP2.61
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314055
3-[1-hydrazinyl-3-(oxolan-2-yl)propyl]-N,N-dimethylaniline
CID 105314247
[4-(oxolan-2-yl)-1-quinoxalin-6-ylbutyl]hydrazine
CID 105221924
[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 114023446
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
[1-(4-fluoro-3-methoxyphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314077
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004
[3-(oxolan-2-yl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303812
[1-(4-cyclobutylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105338158
[4-(oxolan-2-yl)-1-pyrimidin-2-ylbutyl]hydrazine
CID 105203720
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline (CID 105314018) is 4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline is CN(C)c1ccc(C(CCCC2CCCO2)NN)cc1.
What is the InChIKey of 4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline?
The InChIKey is FSJZTDQMWVSIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-19(2)14-10-8-13(9-11-14)16(18-17)7-3-5-15-6-4-12-20-15/h8-11,15-16,18H,3-7,12,17H2,1-2H3.
What are the key properties of 4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline?
4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline has a molecular weight of 277.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline is sourced from PubChem (CID 105314018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).