1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane

C15H28N2 — CID 114013930

IUPAC1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane
SMILESC/C=C/CN1CC(CC)NCC12CCCCC2
InChIInChI=1S/C15H28N2/c1-3-5-11-17-12-14(4-2)16-13-15(17)9-7-6-8-10-15/h3,5,14,16H,4,6-13H2,1-2H3/b5-3+
InChIKeyQGXCFOXSFAJCPX-HWKANZROSA-N
MW236.40 g/mol
LogP2.95
Rot. Bonds3

About 1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane

1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane (PubChem CID 114013930) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane
PubChem CID114013930
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane
SMILESC/C=C/CN1CC(CC)NCC12CCCCC2
InChIInChI=1S/C15H28N2/c1-3-5-11-17-12-14(4-2)16-13-15(17)9-7-6-8-10-15/h3,5,14,16H,4,6-13H2,1-2H3/b5-3+
InChIKeyQGXCFOXSFAJCPX-HWKANZROSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane
CID 107898013
3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80697421
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
CID 64843543
8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
CID 81114428
3-ethyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64842964
3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64843741
8-ethyl-6-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097005
3-tert-butyl-1-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
CID 107901579
8-ethyl-6-(2-ethylhexyl)-6,9-diazaspiro[4.5]decane
CID 64841215
1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107901489
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane
CID 106733011

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane (CID 114013930) is 1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane is C/C=C/CN1CC(CC)NCC12CCCCC2.
What is the InChIKey of 1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is QGXCFOXSFAJCPX-HWKANZROSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-5-11-17-12-14(4-2)16-13-15(17)9-7-6-8-10-15/h3,5,14,16H,4,6-13H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane?
1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 236.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 114013930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).