2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine

C19H32N6O — CID 144635497

IUPAC2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine
SMILESC=CN(C)N.CNc1cccc(C)c1CON=C(C)C1=NN(C)[C@@H](C)C1
InChIInChI=1S/C16H24N4O.C3H8N2/c1-11-7-6-8-15(17-4)14(11)10-21-19-13(3)16-9-12(2)20(5)18-16;1-3-5(2)4/h6-8,12,17H,9-10H2,1-5H3;3H,1,4H2,2H3/t12-;/m0./s1
InChIKeyODYUFENWDHYJPX-YDALLXLXSA-N
MW360.51 g/mol
LogP2.94
Rot. Bonds6

About 2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine

2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine (PubChem CID 144635497) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine.

Molecular Properties

Compound Name2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine
PubChem CID144635497
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine
SMILESC=CN(C)N.CNc1cccc(C)c1CON=C(C)C1=NN(C)[C@@H](C)C1
InChIInChI=1S/C16H24N4O.C3H8N2/c1-11-7-6-8-15(17-4)14(11)10-21-19-13(3)16-9-12(2)20(5)18-16;1-3-5(2)4/h6-8,12,17H,9-10H2,1-5H3;3H,1,4H2,2H3/t12-;/m0./s1
InChIKeyODYUFENWDHYJPX-YDALLXLXSA-N
XLogP2.94
TPSA78.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_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 2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine?
The IUPAC name of 2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine (CID 144635497) is 2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine.
What is the SMILES notation for 2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine?
The canonical SMILES for 2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine is C=CN(C)N.CNc1cccc(C)c1CON=C(C)C1=NN(C)[C@@H](C)C1.
What is the InChIKey of 2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine?
The InChIKey is ODYUFENWDHYJPX-YDALLXLXSA-N. The full InChI is InChI=1S/C16H24N4O.C3H8N2/c1-11-7-6-8-15(17-4)14(11)10-21-19-13(3)16-9-12(2)20(5)18-16;1-3-5(2)4/h6-8,12,17H,9-10H2,1-5H3;3H,1,4H2,2H3/t12-;/m0./s1.
What are the key properties of 2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine?
2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine has a molecular weight of 360.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3S)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]ethylideneamino]oxymethyl]-N,3-dimethylaniline;1-ethenyl-1-methylhydrazine is sourced from PubChem (CID 144635497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).