tert-butyl (NZ)-N-(1-aminoethylidene)carbamate

C7H14N2O2 — CID 45092360

IUPACtert-butyl (NZ)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N/C(=O)OC(C)(C)C
InChIInChI=1S/C7H14N2O2/c1-5(8)9-6(10)11-7(2,3)4/h1-4H3,(H2,8,9,10)
InChIKeyYICBDYRIHWRQKZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.30
Rot. Bonds

About tert-butyl (NZ)-N-(1-aminoethylidene)carbamate

tert-butyl (NZ)-N-(1-aminoethylidene)carbamate (PubChem CID 45092360) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is tert-butyl (NZ)-N-(1-aminoethylidene)carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-(1-aminoethylidene)carbamate
PubChem CID45092360
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nametert-butyl (NZ)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N/C(=O)OC(C)(C)C
InChIInChI=1S/C7H14N2O2/c1-5(8)9-6(10)11-7(2,3)4/h1-4H3,(H2,8,9,10)
InChIKeyYICBDYRIHWRQKZ-UHFFFAOYSA-N
XLogP1.30
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.30
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-(1-aminoethylidene)carbamate?
The IUPAC name of tert-butyl (NZ)-N-(1-aminoethylidene)carbamate (CID 45092360) is tert-butyl (NZ)-N-(1-aminoethylidene)carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-(1-aminoethylidene)carbamate?
The canonical SMILES for tert-butyl (NZ)-N-(1-aminoethylidene)carbamate is C/C(N)=N/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (NZ)-N-(1-aminoethylidene)carbamate?
The InChIKey is YICBDYRIHWRQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(8)9-6(10)11-7(2,3)4/h1-4H3,(H2,8,9,10).
What are the key properties of tert-butyl (NZ)-N-(1-aminoethylidene)carbamate?
tert-butyl (NZ)-N-(1-aminoethylidene)carbamate has a molecular weight of 158.20 g/mol, XLogP of 1.30, 0 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-aminoethylidene)carbamate is sourced from PubChem (CID 45092360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).