[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate

C23H32N4O — CID 134557055

IUPAC[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate
SMILESCCC(=NN=C(C)C1=CCCC2=C1CCC2)OCc1c(C)cccc1N(C)N
InChIInChI=1S/C23H32N4O/c1-5-23(28-15-21-16(2)9-6-14-22(21)27(4)24)26-25-17(3)19-12-7-10-18-11-8-13-20(18)19/h6,9,12,14H,5,7-8,10-11,13,15,24H2,1-4H3
InChIKeyZTPLJWVSSXPAGM-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.21
Rot. Bonds6

About [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate

[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate (PubChem CID 134557055) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate.

Molecular Properties

Compound Name[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate
PubChem CID134557055
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate
SMILESCCC(=NN=C(C)C1=CCCC2=C1CCC2)OCc1c(C)cccc1N(C)N
InChIInChI=1S/C23H32N4O/c1-5-23(28-15-21-16(2)9-6-14-22(21)27(4)24)26-25-17(3)19-12-7-10-18-11-8-13-20(18)19/h6,9,12,14H,5,7-8,10-11,13,15,24H2,1-4H3
InChIKeyZTPLJWVSSXPAGM-UHFFFAOYSA-N
XLogP5.21
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.21
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-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate?
The IUPAC name of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate (CID 134557055) is [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate.
What is the SMILES notation for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate?
The canonical SMILES for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate is CCC(=NN=C(C)C1=CCCC2=C1CCC2)OCc1c(C)cccc1N(C)N.
What is the InChIKey of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate?
The InChIKey is ZTPLJWVSSXPAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-5-23(28-15-21-16(2)9-6-14-22(21)27(4)24)26-25-17(3)19-12-7-10-18-11-8-13-20(18)19/h6,9,12,14H,5,7-8,10-11,13,15,24H2,1-4H3.
What are the key properties of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate?
[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate has a molecular weight of 380.54 g/mol, XLogP of 5.21, 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-(2,3,6,7-tetrahydro-1H-inden-4-yl)ethylidene]propanehydrazonate is sourced from PubChem (CID 134557055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).