tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate

C13H25NO2 — CID 135171091

IUPACtert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate
SMILESCC/C=C(\CC)N(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-7-10-11(8-2)14(9-3)12(15)16-13(4,5)6/h10H,7-9H2,1-6H3/b11-10+
InChIKeyHIIPLSPLLFAIAN-ZHACJKMWSA-N
MW227.35 g/mol
LogP3.95
Rot. Bonds4

About tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate

tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate (PubChem CID 135171091) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate
PubChem CID135171091
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate
SMILESCC/C=C(\CC)N(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-7-10-11(8-2)14(9-3)12(15)16-13(4,5)6/h10H,7-9H2,1-6H3/b11-10+
InChIKeyHIIPLSPLLFAIAN-ZHACJKMWSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate
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acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
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tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate
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tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate
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tert-butyl N-(aminomethyl)-N-ethylcarbamate
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tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate (CID 135171091) is tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate is CC/C=C(\CC)N(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate?
The InChIKey is HIIPLSPLLFAIAN-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H25NO2/c1-7-10-11(8-2)14(9-3)12(15)16-13(4,5)6/h10H,7-9H2,1-6H3/b11-10+.
What are the key properties of tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate?
tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate is sourced from PubChem (CID 135171091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).