tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate

C14H28N2O3 — CID 107253172

IUPACtert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate
SMILESCC(NC/C=C/CNC(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C14H28N2O3/c1-11(14(5,6)18)15-9-7-8-10-16-12(17)19-13(2,3)4/h7-8,11,15,18H,9-10H2,1-6H3,(H,16,17)/b8-7+
InChIKeyBZSIBYFWNZZHCX-BQYQJAHWSA-N
MW272.39 g/mol
LogP1.82
Rot. Bonds6

About tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate

tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate (PubChem CID 107253172) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate
PubChem CID107253172
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate
SMILESCC(NC/C=C/CNC(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C14H28N2O3/c1-11(14(5,6)18)15-9-7-8-10-16-12(17)19-13(2,3)4/h7-8,11,15,18H,9-10H2,1-6H3,(H,16,17)/b8-7+
InChIKeyBZSIBYFWNZZHCX-BQYQJAHWSA-N
XLogP1.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
tert-butyl N-[(E)-4-(1-methoxybutan-2-ylamino)but-2-enyl]carbamate
CID 107252977
tert-butyl N-[(2E)-6-methylhepta-2,4-dienyl]carbamate
CID 135038852
tert-butyl N-(3-bromoprop-2-enyl)carbamate
CID 173240519
tert-butyl N-[(E)-4-[1-(4-hydroxyphenyl)propan-2-ylamino]but-2-enyl]carbamate
CID 107252787
tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate
CID 140618813
tert-butyl N-[(E)-4-oxobut-2-enyl]carbamate
CID 131235306
tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate
CID 107253047
tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
CID 85157761
tert-butyl N-penta-2,4-dienylcarbamate
CID 54438753
tert-butyl N-[(E)-4-[1-(1,3-thiazol-5-yl)ethylamino]but-2-enyl]carbamate
CID 107253060
tert-butyl N-[(E)-4-[1-(3-methylphenyl)ethylamino]but-2-enyl]carbamate
CID 107253277

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate (CID 107253172) is tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate is CC(NC/C=C/CNC(=O)OC(C)(C)C)C(C)(C)O.
What is the InChIKey of tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate?
The InChIKey is BZSIBYFWNZZHCX-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(14(5,6)18)15-9-7-8-10-16-12(17)19-13(2,3)4/h7-8,11,15,18H,9-10H2,1-6H3,(H,16,17)/b8-7+.
What are the key properties of tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate?
tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate is sourced from PubChem (CID 107253172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).