4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane

C13H26N2 — CID 64833666

IUPAC4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CN1CCNC2(CCCCC2)C1
InChIInChI=1S/C13H26N2/c1-12(2)10-15-9-8-14-13(11-15)6-4-3-5-7-13/h12,14H,3-11H2,1-2H3
InChIKeyQLMIEKHUZCNNOY-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds2

About 4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane

4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64833666) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64833666
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CN1CCNC2(CCCCC2)C1
InChIInChI=1S/C13H26N2/c1-12(2)10-15-9-8-14-13(11-15)6-4-3-5-7-13/h12,14H,3-11H2,1-2H3
InChIKeyQLMIEKHUZCNNOY-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane (CID 64833666) is 4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane is CC(C)CN1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is QLMIEKHUZCNNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2)10-15-9-8-14-13(11-15)6-4-3-5-7-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 210.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64833666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).