1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C15H27ClN2 — CID 107901489

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CN(C/C=C/Cl)C2(CCCCC2)CN1
InChIInChI=1S/C15H27ClN2/c1-13(2)14-11-18(10-6-9-16)15(12-17-14)7-4-3-5-8-15/h6,9,13-14,17H,3-5,7-8,10-12H2,1-2H3/b9-6+
InChIKeyZGIGMLWDLYQNQH-RMKNXTFCSA-N
MW270.85 g/mol
LogP3.37
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 107901489) has the molecular formula C15H27ClN2 and a molecular weight of 270.85 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID107901489
Molecular FormulaC15H27ClN2
Molecular Weight270.85 g/mol
Exact Mass270.19
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CN(C/C=C/Cl)C2(CCCCC2)CN1
InChIInChI=1S/C15H27ClN2/c1-13(2)14-11-18(10-6-9-16)15(12-17-14)7-4-3-5-8-15/h6,9,13-14,17H,3-5,7-8,10-12H2,1-2H3/b9-6+
InChIKeyZGIGMLWDLYQNQH-RMKNXTFCSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64839273
3-tert-butyl-1-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
CID 107901579
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 107901484
8-propan-2-yl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64839855
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 65461470
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane
CID 107898013
1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 106732916
6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64838297
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106458569
1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 114013930
1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 82872305
8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64840047

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 107901489) is 1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)C1CN(C/C=C/Cl)C2(CCCCC2)CN1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZGIGMLWDLYQNQH-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H27ClN2/c1-13(2)14-11-18(10-6-9-16)15(12-17-14)7-4-3-5-8-15/h6,9,13-14,17H,3-5,7-8,10-12H2,1-2H3/b9-6+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 270.85 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 107901489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).