9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane

C18H34N2O — CID 103141460

IUPAC9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CNC2(CCCC2)CN1CC1CCC(C)O1
InChIInChI=1S/C18H34N2O/c1-14(2)10-16-11-19-18(8-4-5-9-18)13-20(16)12-17-7-6-15(3)21-17/h14-17,19H,4-13H2,1-3H3
InChIKeyLWRKQGQTUIQIEN-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds4

About 9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane

9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane (PubChem CID 103141460) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
PubChem CID103141460
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CNC2(CCCC2)CN1CC1CCC(C)O1
InChIInChI=1S/C18H34N2O/c1-14(2)10-16-11-19-18(8-4-5-9-18)13-20(16)12-17-7-6-15(3)21-17/h14-17,19H,4-13H2,1-3H3
InChIKeyLWRKQGQTUIQIEN-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane (CID 103141460) is 9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane is CC(C)CC1CNC2(CCCC2)CN1CC1CCC(C)O1.
What is the InChIKey of 9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is LWRKQGQTUIQIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-14(2)10-16-11-19-18(8-4-5-9-18)13-20(16)12-17-7-6-15(3)21-17/h14-17,19H,4-13H2,1-3H3.
What are the key properties of 9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 294.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-methyloxolan-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 103141460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).