tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate

C9H19N3O2 — CID 123354584

IUPACtert-butyl N-(2-amino-2-ethyliminoethyl)carbamate
SMILESCC/N=C(\N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19N3O2/c1-5-11-7(10)6-12-8(13)14-9(2,3)4/h5-6H2,1-4H3,(H2,10,11)(H,12,13)
InChIKeyWCQMSNZEKHQUTB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.89
Rot. Bonds3

About tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate

tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate (PubChem CID 123354584) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-2-ethyliminoethyl)carbamate
PubChem CID123354584
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Nametert-butyl N-(2-amino-2-ethyliminoethyl)carbamate
SMILESCC/N=C(\N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19N3O2/c1-5-11-7(10)6-12-8(13)14-9(2,3)4/h5-6H2,1-4H3,(H2,10,11)(H,12,13)
InChIKeyWCQMSNZEKHQUTB-UHFFFAOYSA-N
XLogP0.89
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-amino-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 19049020
tert-butyl N-((N'-hydroxycarbamimidoyl)methyl)carbamate
CID 21061511
tert-butyl N-(carbamimidoylmethyl)carbamate hydrochloride
CID 45791936
tert-butyl N-[(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 139026733
1,1-Dimethylethyl N-(2-amino-2-iminoethyl)carbamate
CID 10942938
tert-butyl N-[2-amino-2-(2,2,2-trifluoroethanimidoyl)iminoethyl]carbamate
CID 144332930
tert-butyl N-[2-(2-methylpropylideneamino)ethyl]carbamate
CID 25228487
t-Butyl (1-amino-1-iminobutan-2-yl)-carbamate
CID 61428163
tert-butyl N-[2-(tert-butyliminomethylideneamino)ethyl]carbamate
CID 166448461
Tert-butyl (3-amino-3-iminopropyl)carbamate
CID 12715858
tert-Butyl N-(1-carbamimidoylethyl)carbamate
CID 61428355
Tert-butyl (2-amino-2-iminoethyl)(methyl)carbamate
CID 61430517

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate (CID 123354584) is tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate is CC/N=C(\N)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate?
The InChIKey is WCQMSNZEKHQUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-5-11-7(10)6-12-8(13)14-9(2,3)4/h5-6H2,1-4H3,(H2,10,11)(H,12,13).
What are the key properties of tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate?
tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate is sourced from PubChem (CID 123354584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).