[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate

C24H31N3O — CID 134556987

IUPAC[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate
SMILESCCC(=NN=C(C)c1cccc2c1CCCC2)OCc1c(C)cccc1NC
InChIInChI=1S/C24H31N3O/c1-5-24(28-16-22-17(2)10-8-15-23(22)25-4)27-26-18(3)20-14-9-12-19-11-6-7-13-21(19)20/h8-10,12,14-15,25H,5-7,11,13,16H2,1-4H3
InChIKeyHDQLJRAKFRZGKP-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.66
Rot. Bonds6

About [2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate

[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate (PubChem CID 134556987) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is [2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate.

Molecular Properties

Compound Name[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate
PubChem CID134556987
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate
SMILESCCC(=NN=C(C)c1cccc2c1CCCC2)OCc1c(C)cccc1NC
InChIInChI=1S/C24H31N3O/c1-5-24(28-16-22-17(2)10-8-15-23(22)25-4)27-26-18(3)20-14-9-12-19-11-6-7-13-21(19)20/h8-10,12,14-15,25H,5-7,11,13,16H2,1-4H3
InChIKeyHDQLJRAKFRZGKP-UHFFFAOYSA-N
XLogP5.66
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate?
The IUPAC name of [2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate (CID 134556987) is [2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate.
What is the SMILES notation for [2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate?
The canonical SMILES for [2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate is CCC(=NN=C(C)c1cccc2c1CCCC2)OCc1c(C)cccc1NC.
What is the InChIKey of [2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate?
The InChIKey is HDQLJRAKFRZGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-5-24(28-16-22-17(2)10-8-15-23(22)25-4)27-26-18(3)20-14-9-12-19-11-6-7-13-21(19)20/h8-10,12,14-15,25H,5-7,11,13,16H2,1-4H3.
What are the key properties of [2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate?
[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate has a molecular weight of 377.53 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate is sourced from PubChem (CID 134556987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).