tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate

C10H19BrN2O2 — CID 115614738

IUPACtert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate
SMILESC=C(Br)CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19BrN2O2/c1-8(11)7-12-5-6-13-9(14)15-10(2,3)4/h12H,1,5-7H2,2-4H3,(H,13,14)
InChIKeyAMGZNBFZLYXEFP-UHFFFAOYSA-N
MW279.18 g/mol
LogP2.01
Rot. Bonds5

About tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate

tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate (PubChem CID 115614738) has the molecular formula C10H19BrN2O2 and a molecular weight of 279.18 g/mol. Its IUPAC name is tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate
PubChem CID115614738
Molecular FormulaC10H19BrN2O2
Molecular Weight279.18 g/mol
Exact Mass278.06
IUPAC Nametert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate
SMILESC=C(Br)CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19BrN2O2/c1-8(11)7-12-5-6-13-9(14)15-10(2,3)4/h12H,1,5-7H2,2-4H3,(H,13,14)
InChIKeyAMGZNBFZLYXEFP-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate (CID 115614738) is tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate is C=C(Br)CNCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate?
The InChIKey is AMGZNBFZLYXEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O2/c1-8(11)7-12-5-6-13-9(14)15-10(2,3)4/h12H,1,5-7H2,2-4H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate?
tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate has a molecular weight of 279.18 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate is sourced from PubChem (CID 115614738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).