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

C7H15N3O2 — CID 10942938

IUPACtert-butyl N-(2-amino-2-iminoethyl)carbamate
SMILES[H]/N=C(\N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C7H15N3O2/c1-7(2,3)12-6(11)10-4-5(8)9/h4H2,1-3H3,(H3,8,9)(H,10,11)
InChIKeySWBZVFFQFKRUQQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.45
Rot. Bonds2

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

tert-butyl N-(2-amino-2-iminoethyl)carbamate (PubChem CID 10942938) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is tert-butyl N-(2-amino-2-iminoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-2-iminoethyl)carbamate
PubChem CID10942938
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Nametert-butyl N-(2-amino-2-iminoethyl)carbamate
SMILES[H]/N=C(\N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C7H15N3O2/c1-7(2,3)12-6(11)10-4-5(8)9/h4H2,1-3H3,(H3,8,9)(H,10,11)
InChIKeySWBZVFFQFKRUQQ-UHFFFAOYSA-N
XLogP0.45
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.45
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-2-iminoethyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-2-iminoethyl)carbamate (CID 10942938) is tert-butyl N-(2-amino-2-iminoethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-2-iminoethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-2-iminoethyl)carbamate is [H]/N=C(\N)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-amino-2-iminoethyl)carbamate?
The InChIKey is SWBZVFFQFKRUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-7(2,3)12-6(11)10-4-5(8)9/h4H2,1-3H3,(H3,8,9)(H,10,11).
What are the key properties of tert-butyl N-(2-amino-2-iminoethyl)carbamate?
tert-butyl N-(2-amino-2-iminoethyl)carbamate has a molecular weight of 173.22 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-2-iminoethyl)carbamate is sourced from PubChem (CID 10942938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).