tert-butyl N-(2-methyliminoethyl)carbamate

C8H16N2O2 — CID 23290886

IUPACtert-butyl N-(2-methyliminoethyl)carbamate
SMILESC/N=C/CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h5H,6H2,1-4H3,(H,10,11)/b9-5+
InChIKeyHQQIVRSSHVTPRO-WEVVVXLNSA-N
MW172.23 g/mol
LogP1.21
Rot. Bonds2

About tert-butyl N-(2-methyliminoethyl)carbamate

tert-butyl N-(2-methyliminoethyl)carbamate (PubChem CID 23290886) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is tert-butyl N-(2-methyliminoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyliminoethyl)carbamate
PubChem CID23290886
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nametert-butyl N-(2-methyliminoethyl)carbamate
SMILESC/N=C/CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h5H,6H2,1-4H3,(H,10,11)/b9-5+
InChIKeyHQQIVRSSHVTPRO-WEVVVXLNSA-N
XLogP1.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyliminoethyl)carbamate?
The IUPAC name of tert-butyl N-(2-methyliminoethyl)carbamate (CID 23290886) is tert-butyl N-(2-methyliminoethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyliminoethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyliminoethyl)carbamate is C/N=C/CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methyliminoethyl)carbamate?
The InChIKey is HQQIVRSSHVTPRO-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h5H,6H2,1-4H3,(H,10,11)/b9-5+.
What are the key properties of tert-butyl N-(2-methyliminoethyl)carbamate?
tert-butyl N-(2-methyliminoethyl)carbamate has a molecular weight of 172.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyliminoethyl)carbamate is sourced from PubChem (CID 23290886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).