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

C13H24N2O2 — CID 90117490

IUPACtert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate
SMILESC=CCNCCN(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-6-8-14-9-11-15(10-7-2)12(16)17-13(3,4)5/h6-7,14H,1-2,8-11H2,3-5H3
InChIKeyUBDFVXNUBVXGHL-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.19
Rot. Bonds7

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

tert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate (PubChem CID 90117490) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate
PubChem CID90117490
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate
SMILESC=CCNCCN(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-6-8-14-9-11-15(10-7-2)12(16)17-13(3,4)5/h6-7,14H,1-2,8-11H2,3-5H3
InChIKeyUBDFVXNUBVXGHL-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate (CID 90117490) is tert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate is C=CCNCCN(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate?
The InChIKey is UBDFVXNUBVXGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-8-14-9-11-15(10-7-2)12(16)17-13(3,4)5/h6-7,14H,1-2,8-11H2,3-5H3.
What are the key properties of tert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate?
tert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]carbamate is sourced from PubChem (CID 90117490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).