tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate

C13H24N2O3 — CID 173381666

IUPACtert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate
SMILESC/C(=C\O/C=C(\C)CNC(=O)OC(C)(C)C)CN
InChIInChI=1S/C13H24N2O3/c1-10(6-14)8-17-9-11(2)7-15-12(16)18-13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16)/b10-8+,11-9+
InChIKeyNYJWILDQFITXHH-GFULKKFKSA-N
MW256.35 g/mol
LogP2.29
Rot. Bonds5

About tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate

tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate (PubChem CID 173381666) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate
PubChem CID173381666
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate
SMILESC/C(=C\O/C=C(\C)CNC(=O)OC(C)(C)C)CN
InChIInChI=1S/C13H24N2O3/c1-10(6-14)8-17-9-11(2)7-15-12(16)18-13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16)/b10-8+,11-9+
InChIKeyNYJWILDQFITXHH-GFULKKFKSA-N
XLogP2.29
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
CID 129451512
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 87269499
tert-butyl N-[(2E,4E)-4-cyano-2-methylhexa-2,4-dienyl]carbamate
CID 170299111
tert-butyl N-(4-amino-3-oxobutyl)carbamate
CID 96619413
tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene
CID 144701048
3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11357744
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate
CID 167104188
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate (CID 173381666) is tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate is C/C(=C\O/C=C(\C)CNC(=O)OC(C)(C)C)CN.
What is the InChIKey of tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate?
The InChIKey is NYJWILDQFITXHH-GFULKKFKSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(6-14)8-17-9-11(2)7-15-12(16)18-13(3,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16)/b10-8+,11-9+.
What are the key properties of tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate?
tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate has a molecular weight of 256.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-[(E)-3-amino-2-methylprop-1-enoxy]-2-methylprop-2-enyl]carbamate is sourced from PubChem (CID 173381666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).