benzyl N-methyl-N-propylethanehydrazonate

C13H20N2O — CID 123326468

IUPACbenzyl N-methyl-N-propylethanehydrazonate
SMILESCCCN(C)N=C(C)OCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-10-15(3)14-12(2)16-11-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3
InChIKeyDFRVGTLWYMUDRR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.88
Rot. Bonds5

About benzyl N-methyl-N-propylethanehydrazonate

benzyl N-methyl-N-propylethanehydrazonate (PubChem CID 123326468) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is benzyl N-methyl-N-propylethanehydrazonate.

Molecular Properties

Compound Namebenzyl N-methyl-N-propylethanehydrazonate
PubChem CID123326468
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namebenzyl N-methyl-N-propylethanehydrazonate
SMILESCCCN(C)N=C(C)OCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-10-15(3)14-12(2)16-11-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3
InChIKeyDFRVGTLWYMUDRR-UHFFFAOYSA-N
XLogP2.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Triethylamine, 2-benzyloxy-
CID 3044879
N'-(2-(Benzyloxy)ethyl)-N,N-dimethylacetamidine
CID 58602
(2-(Benzyloxy)ethyl)trimethylammonium chloride
CID 3026376
Ethylamine, 2-(benzyloxy)-N,N-dimethyl-
CID 234348
ethyl N-methylbenzenecarboximidate
CID 13067965
ethyl N-butylbenzenecarboximidate
CID 19093178
N-[(E)-[(2R)-3,3-difluoro-2-phenylmethoxybutylidene]amino]-N-methylmethanamine
CID 15038955
(3-fluorophenyl)methyl N-methylprop-2-enimidate
CID 123345945
(3-fluorophenyl)methyl N-methylbut-2-enimidate
CID 123498394
(4-fluorophenyl)methyl N-methylprop-2-enimidate
CID 123565522
(2-fluorophenyl)methyl N-methylprop-2-enimidate
CID 123758230
(3-Azido-2-fluoro-2-methylpropoxy)methylbenzene
CID 126688257

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-propylethanehydrazonate?
The IUPAC name of benzyl N-methyl-N-propylethanehydrazonate (CID 123326468) is benzyl N-methyl-N-propylethanehydrazonate.
What is the SMILES notation for benzyl N-methyl-N-propylethanehydrazonate?
The canonical SMILES for benzyl N-methyl-N-propylethanehydrazonate is CCCN(C)N=C(C)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-propylethanehydrazonate?
The InChIKey is DFRVGTLWYMUDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-10-15(3)14-12(2)16-11-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3.
What are the key properties of benzyl N-methyl-N-propylethanehydrazonate?
benzyl N-methyl-N-propylethanehydrazonate has a molecular weight of 220.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-propylethanehydrazonate is sourced from PubChem (CID 123326468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).