tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate

C13H24N2O2 — CID 22474764

IUPACtert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate
SMILESC=CC(C)NCC(C=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-7-10(3)14-9-11(8-2)15-12(16)17-13(4,5)6/h7-8,10-11,14H,1-2,9H2,3-6H3,(H,15,16)
InChIKeySLRMRYPNWVFZLI-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.23
Rot. Bonds6

About tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate

tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate (PubChem CID 22474764) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate
PubChem CID22474764
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate
SMILESC=CC(C)NCC(C=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-7-10(3)14-9-11(8-2)15-12(16)17-13(4,5)6/h7-8,10-11,14H,1-2,9H2,3-6H3,(H,15,16)
InChIKeySLRMRYPNWVFZLI-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate (CID 22474764) is tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate is C=CC(C)NCC(C=C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate?
The InChIKey is SLRMRYPNWVFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-7-10(3)14-9-11(8-2)15-12(16)17-13(4,5)6/h7-8,10-11,14H,1-2,9H2,3-6H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate?
tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(but-3-en-2-ylamino)but-3-en-2-yl]carbamate is sourced from PubChem (CID 22474764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).