9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane

C15H27ClN2 — CID 114014122

IUPAC9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CNC2(CCCC2)CN1C/C=C/Cl
InChIInChI=1S/C15H27ClN2/c1-13(2)10-14-11-17-15(6-3-4-7-15)12-18(14)9-5-8-16/h5,8,13-14,17H,3-4,6-7,9-12H2,1-2H3/b8-5+
InChIKeyROZKFHWYRSRYFD-VMPITWQZSA-N
MW270.85 g/mol
LogP3.37
Rot. Bonds4

About 9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane

9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane (PubChem CID 114014122) has the molecular formula C15H27ClN2 and a molecular weight of 270.85 g/mol. Its IUPAC name is 9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
PubChem CID114014122
Molecular FormulaC15H27ClN2
Molecular Weight270.85 g/mol
Exact Mass270.19
IUPAC Name9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CNC2(CCCC2)CN1C/C=C/Cl
InChIInChI=1S/C15H27ClN2/c1-13(2)10-14-11-17-15(6-3-4-7-15)12-18(14)9-5-8-16/h5,8,13-14,17H,3-4,6-7,9-12H2,1-2H3/b8-5+
InChIKeyROZKFHWYRSRYFD-VMPITWQZSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane (CID 114014122) is 9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane is CC(C)CC1CNC2(CCCC2)CN1C/C=C/Cl.
What is the InChIKey of 9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is ROZKFHWYRSRYFD-VMPITWQZSA-N. The full InChI is InChI=1S/C15H27ClN2/c1-13(2)10-14-11-17-15(6-3-4-7-15)12-18(14)9-5-8-16/h5,8,13-14,17H,3-4,6-7,9-12H2,1-2H3/b8-5+.
What are the key properties of 9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 270.85 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 114014122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).