3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane

C12H22N2 — CID 88578077

IUPAC3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane
SMILESC/C=C/N1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H22N2/c1-2-9-14-10-5-12(6-11-14)3-7-13-8-4-12/h2,9,13H,3-8,10-11H2,1H3/b9-2+
InChIKeyWIVDHCUMDSJQAI-XNWCZRBMSA-N
MW194.32 g/mol
LogP1.99
Rot. Bonds1

About 3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane

3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 88578077) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane
PubChem CID88578077
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane
SMILESC/C=C/N1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H22N2/c1-2-9-14-10-5-12(6-11-14)3-7-13-8-4-12/h2,9,13H,3-8,10-11H2,1H3/b9-2+
InChIKeyWIVDHCUMDSJQAI-XNWCZRBMSA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane (CID 88578077) is 3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane is C/C=C/N1CCC2(CCNCC2)CC1.
What is the InChIKey of 3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is WIVDHCUMDSJQAI-XNWCZRBMSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-9-14-10-5-12(6-11-14)3-7-13-8-4-12/h2,9,13H,3-8,10-11H2,1H3/b9-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane?
3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 194.32 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 88578077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).