tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate

C15H22N2O2 — CID 82485646

IUPACtert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate
SMILESCc1ccc(C/C(N)=N/C(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-10-6-7-12(11(2)8-10)9-13(16)17-14(18)19-15(3,4)5/h6-8H,9H2,1-5H3,(H2,16,17,18)
InChIKeyZPWPRAZBKXLVIY-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.14
Rot. Bonds2

About tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate

tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate (PubChem CID 82485646) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate
PubChem CID82485646
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate
SMILESCc1ccc(C/C(N)=N/C(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-10-6-7-12(11(2)8-10)9-13(16)17-14(18)19-15(3,4)5/h6-8H,9H2,1-5H3,(H2,16,17,18)
InChIKeyZPWPRAZBKXLVIY-UHFFFAOYSA-N
XLogP3.14
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate
CID 107248074
tert-butyl N-[(2,4-dimethylphenyl)methyl-methylsulfanylcarbonylamino]carbamate
CID 171832388
tert-butyl N-[1-(2,4-dimethylphenyl)-3-methylsulfanylpropan-2-yl]carbamate
CID 170621647
2-(2,4-dimethylphenyl)ethyl carbamate
CID 123427544
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
2-(2,4-dimethylphenyl)ethanethioamide
CID 82075040
tert-butyl N-[2-[[N'-[(2,4-dimethylphenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884632
tert-butyl N-[3-[[N-[(2,4-dimethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886390
tert-butyl N-[[1-amino-2-(4-methylphenyl)ethylidene]amino]carbamate
CID 57366789
3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
CID 106095989
tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 154014889

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate?
The IUPAC name of tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate (CID 82485646) is tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate?
The canonical SMILES for tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate is Cc1ccc(C/C(N)=N/C(=O)OC(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate?
The InChIKey is ZPWPRAZBKXLVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-7-12(11(2)8-10)9-13(16)17-14(18)19-15(3,4)5/h6-8H,9H2,1-5H3,(H2,16,17,18).
What are the key properties of tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate?
tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-[1-amino-2-(2,4-dimethylphenyl)ethylidene]carbamate is sourced from PubChem (CID 82485646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).