8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane

C17H32N2O — CID 64849426

IUPAC8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCCC(C)C1CN(CC2CCOC2)C2(CCCC2)CN1
InChIInChI=1S/C17H32N2O/c1-3-14(2)16-11-19(10-15-6-9-20-12-15)17(13-18-16)7-4-5-8-17/h14-16,18H,3-13H2,1-2H3
InChIKeyCZDMYDTYGOKGKY-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds4

About 8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane

8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64849426) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64849426
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCCC(C)C1CN(CC2CCOC2)C2(CCCC2)CN1
InChIInChI=1S/C17H32N2O/c1-3-14(2)16-11-19(10-15-6-9-20-12-15)17(13-18-16)7-4-5-8-17/h14-16,18H,3-13H2,1-2H3
InChIKeyCZDMYDTYGOKGKY-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 64849426) is 8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane is CCC(C)C1CN(CC2CCOC2)C2(CCCC2)CN1.
What is the InChIKey of 8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is CZDMYDTYGOKGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-14(2)16-11-19(10-15-6-9-20-12-15)17(13-18-16)7-4-5-8-17/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane?
8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 280.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64849426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).