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

C18H32N2O2 — CID 142472440

IUPACtert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate
SMILESCCN(/C=C/C1=C(NC(=O)OC(C)(C)C)CCCCC1)CC
InChIInChI=1S/C18H32N2O2/c1-6-20(7-2)14-13-15-11-9-8-10-12-16(15)19-17(21)22-18(3,4)5/h13-14H,6-12H2,1-5H3,(H,19,21)/b14-13+
InChIKeyFVMZQDSLXFJGCC-BUHFOSPRSA-N
MW308.47 g/mol
LogP4.58
Rot. Bonds5

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

tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate (PubChem CID 142472440) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate
PubChem CID142472440
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Nametert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate
SMILESCCN(/C=C/C1=C(NC(=O)OC(C)(C)C)CCCCC1)CC
InChIInChI=1S/C18H32N2O2/c1-6-20(7-2)14-13-15-11-9-8-10-12-16(15)19-17(21)22-18(3,4)5/h13-14H,6-12H2,1-5H3,(H,19,21)/b14-13+
InChIKeyFVMZQDSLXFJGCC-BUHFOSPRSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate (CID 142472440) is tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate is CCN(/C=C/C1=C(NC(=O)OC(C)(C)C)CCCCC1)CC.
What is the InChIKey of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate?
The InChIKey is FVMZQDSLXFJGCC-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-6-20(7-2)14-13-15-11-9-8-10-12-16(15)19-17(21)22-18(3,4)5/h13-14H,6-12H2,1-5H3,(H,19,21)/b14-13+.
What are the key properties of tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate?
tert-butyl N-[2-[(E)-2-(diethylamino)ethenyl]cyclohepten-1-yl]carbamate has a molecular weight of 308.47 g/mol, XLogP of 4.58, 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]cyclohepten-1-yl]carbamate is sourced from PubChem (CID 142472440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).