tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate

C11H22N2O2 — CID 170975536

IUPACtert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate
SMILESCC/C=C(\NC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-7-8-9(12-5)13(6)10(14)15-11(2,3)4/h8,12H,7H2,1-6H3/b9-8+
InChIKeyKKRSNARXHXNBCV-CMDGGOBGSA-N
MW214.31 g/mol
LogP2.32
Rot. Bonds3

About tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate

tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate (PubChem CID 170975536) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate
PubChem CID170975536
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate
SMILESCC/C=C(\NC)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-7-8-9(12-5)13(6)10(14)15-11(2,3)4/h8,12H,7H2,1-6H3/b9-8+
InChIKeyKKRSNARXHXNBCV-CMDGGOBGSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate
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tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate
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tert-butyl N-(2-oxohex-3-en-3-yl)carbamate
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acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate (CID 170975536) is tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate is CC/C=C(\NC)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate?
The InChIKey is KKRSNARXHXNBCV-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7-8-9(12-5)13(6)10(14)15-11(2,3)4/h8,12H,7H2,1-6H3/b9-8+.
What are the key properties of tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate?
tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate is sourced from PubChem (CID 170975536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).