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

C26H37N5O2 — CID 142358707

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

N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate (PubChem CID 142358707) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate.

Molecular Properties

• Compound Name: N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate
• PubChem CID: 142358707
• Molecular Formula: C26H37N5O2
• Molecular Weight: 451.62 g/mol
• Exact Mass: 451.29
• IUPAC Name: N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate
• SMILES: CCC(=NN=C(C)c1cccc2c1CCCC2)OCc1c(C)cccc1NC.CN(N)C=O
• InChI: InChI=1S/C24H31N3O.C2H6N2O/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;1-4(3)2-5/h8-10,12,14-15,25H,5-7,11,13,16H2,1-4H3;2H,3H2,1H3
• InChIKey: XEUMYIRBZVHALU-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 92.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.62
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate?

The IUPAC name of N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate (CID 142358707) is N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate.

What is the SMILES notation for N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate?

The canonical SMILES for N-amino-N-methylformamide;[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.CN(N)C=O.

What is the InChIKey of N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate?

The InChIKey is XEUMYIRBZVHALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O.C2H6N2O/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;1-4(3)2-5/h8-10,12,14-15,25H,5-7,11,13,16H2,1-4H3;2H,3H2,1H3.

What are the key properties of N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate?

N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate has a molecular weight of 451.62 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-amino-N-methylformamide;[2-methyl-6-(methylamino)phenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylidene]propanehydrazonate is sourced from PubChem (CID 142358707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).