tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate

C17H30N2O2 — CID 142472343

IUPACtert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate
SMILESCCN(/C=C/C1=C(NC(=O)OC(C)(C)C)CCCC1)CC
InChIInChI=1S/C17H30N2O2/c1-6-19(7-2)13-12-14-10-8-9-11-15(14)18-16(20)21-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,20)/b13-12+
InChIKeyDPOBDXXPHVARLK-OUKQBFOZSA-N
MW294.44 g/mol
LogP4.19
Rot. Bonds5

About tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate

tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate (PubChem CID 142472343) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate
PubChem CID142472343
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nametert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate
SMILESCCN(/C=C/C1=C(NC(=O)OC(C)(C)C)CCCC1)CC
InChIInChI=1S/C17H30N2O2/c1-6-19(7-2)13-12-14-10-8-9-11-15(14)18-16(20)21-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,20)/b13-12+
InChIKeyDPOBDXXPHVARLK-OUKQBFOZSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate (CID 142472343) is tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate is CCN(/C=C/C1=C(NC(=O)OC(C)(C)C)CCCC1)CC.
What is the InChIKey of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate?
The InChIKey is DPOBDXXPHVARLK-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-19(7-2)13-12-14-10-8-9-11-15(14)18-16(20)21-17(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,20)/b13-12+.
What are the key properties of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate?
tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate has a molecular weight of 294.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohexen-1-yl]carbamate is sourced from PubChem (CID 142472343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).