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

C24H32N4O — CID 134557274

IUPAC[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate
SMILESCCC(=NN=C(C)c1ccc2c(c1)CCCC2)OCc1c(C)cccc1N(C)N
InChIInChI=1S/C24H32N4O/c1-5-24(29-16-22-17(2)9-8-12-23(22)28(4)25)27-26-18(3)20-14-13-19-10-6-7-11-21(19)15-20/h8-9,12-15H,5-7,10-11,16,25H2,1-4H3
InChIKeyBJBUBJDUUKPRGN-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.93
Rot. Bonds6

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

[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate (PubChem CID 134557274) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate.

Molecular Properties

Compound Name[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate
PubChem CID134557274
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate
SMILESCCC(=NN=C(C)c1ccc2c(c1)CCCC2)OCc1c(C)cccc1N(C)N
InChIInChI=1S/C24H32N4O/c1-5-24(29-16-22-17(2)9-8-12-23(22)28(4)25)27-26-18(3)20-14-13-19-10-6-7-11-21(19)15-20/h8-9,12-15H,5-7,10-11,16,25H2,1-4H3
InChIKeyBJBUBJDUUKPRGN-UHFFFAOYSA-N
XLogP4.93
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate?
The IUPAC name of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate (CID 134557274) is [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate.
What is the SMILES notation for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate?
The canonical SMILES for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate is CCC(=NN=C(C)c1ccc2c(c1)CCCC2)OCc1c(C)cccc1N(C)N.
What is the InChIKey of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate?
The InChIKey is BJBUBJDUUKPRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-5-24(29-16-22-17(2)9-8-12-23(22)28(4)25)27-26-18(3)20-14-13-19-10-6-7-11-21(19)15-20/h8-9,12-15H,5-7,10-11,16,25H2,1-4H3.
What are the key properties of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate?
[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate has a molecular weight of 392.55 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]propanehydrazonate is sourced from PubChem (CID 134557274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).