3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane

C14H28N2 — CID 79321099

IUPAC3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)CC1CNCCC12CCN(C)CC2
InChIInChI=1S/C14H28N2/c1-12(2)10-13-11-15-7-4-14(13)5-8-16(3)9-6-14/h12-13,15H,4-11H2,1-3H3
InChIKeyWLQXCNLCAZTQOW-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.35
Rot. Bonds2

About 3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane

3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 79321099) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
PubChem CID79321099
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)CC1CNCCC12CCN(C)CC2
InChIInChI=1S/C14H28N2/c1-12(2)10-13-11-15-7-4-14(13)5-8-16(3)9-6-14/h12-13,15H,4-11H2,1-3H3
InChIKeyWLQXCNLCAZTQOW-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane (CID 79321099) is 3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane is CC(C)CC1CNCCC12CCN(C)CC2.
What is the InChIKey of 3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is WLQXCNLCAZTQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)10-13-11-15-7-4-14(13)5-8-16(3)9-6-14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 224.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 79321099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).