tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate

C13H24N2O2 — CID 107253047

IUPACtert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/CNC1CCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-5-4-9-14-11-7-6-8-11/h4-5,11,14H,6-10H2,1-3H3,(H,15,16)/b5-4+
InChIKeySNAXXNCYTHVRHJ-SNAWJCMRSA-N
MW240.35 g/mol
LogP2.21
Rot. Bonds5

About tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate

tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate (PubChem CID 107253047) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate
PubChem CID107253047
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/CNC1CCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-5-4-9-14-11-7-6-8-11/h4-5,11,14H,6-10H2,1-3H3,(H,15,16)/b5-4+
InChIKeySNAXXNCYTHVRHJ-SNAWJCMRSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E)-4-[(1-methylpiperidin-4-yl)amino]but-2-enyl]carbamate
CID 107252674
tert-butyl N-[(E)-4-[(4-methoxycyclohexyl)amino]but-2-enyl]carbamate
CID 99799409
tert-butyl N-[(E)-4-(thiolan-3-ylamino)but-2-enyl]carbamate
CID 107253019
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-[(E)-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]but-2-enyl]carbamate
CID 107253085
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
tert-butyl N-[(E)-4-(oxan-4-ylmethylamino)but-2-enyl]carbamate
CID 107253288
tert-butyl N-(3-bromoprop-2-enyl)carbamate
CID 173240519
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate
CID 140618813

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate (CID 107253047) is tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C/CNC1CCC1.
What is the InChIKey of tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate?
The InChIKey is SNAXXNCYTHVRHJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-5-4-9-14-11-7-6-8-11/h4-5,11,14H,6-10H2,1-3H3,(H,15,16)/b5-4+.
What are the key properties of tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate?
tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate is sourced from PubChem (CID 107253047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).