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

C14H28N2 — CID 64877798

IUPAC3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CN1CC2(CCCCC2)NCC1C
InChIInChI=1S/C14H28N2/c1-12(2)10-16-11-14(15-9-13(16)3)7-5-4-6-8-14/h12-13,15H,4-11H2,1-3H3
InChIKeyWDJVLXKVPAKHHS-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds2

About 3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane

3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64877798) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64877798
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)CN1CC2(CCCCC2)NCC1C
InChIInChI=1S/C14H28N2/c1-12(2)10-16-11-14(15-9-13(16)3)7-5-4-6-8-14/h12-13,15H,4-11H2,1-3H3
InChIKeyWDJVLXKVPAKHHS-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane (CID 64877798) is 3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane is CC(C)CN1CC2(CCCCC2)NCC1C.
What is the InChIKey of 3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is WDJVLXKVPAKHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)10-16-11-14(15-9-13(16)3)7-5-4-6-8-14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 224.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64877798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).