3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane

C16H29N5 — CID 107055867

IUPAC3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CN(Cc2cn(C)nn2)C2(CCCCC2)CN1
InChIInChI=1S/C16H29N5/c1-4-15(2)13-21(11-14-10-20(3)19-18-14)16(12-17-15)8-6-5-7-9-16/h10,17H,4-9,11-13H2,1-3H3
InChIKeyZKYKPUJAMOQJPP-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.09
Rot. Bonds3

About 3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane

3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 107055867) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID107055867
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CN(Cc2cn(C)nn2)C2(CCCCC2)CN1
InChIInChI=1S/C16H29N5/c1-4-15(2)13-21(11-14-10-20(3)19-18-14)16(12-17-15)8-6-5-7-9-16/h10,17H,4-9,11-13H2,1-3H3
InChIKeyZKYKPUJAMOQJPP-UHFFFAOYSA-N
XLogP2.09
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane (CID 107055867) is 3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane is CCC1(C)CN(Cc2cn(C)nn2)C2(CCCCC2)CN1.
What is the InChIKey of 3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZKYKPUJAMOQJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-15(2)13-21(11-14-10-20(3)19-18-14)16(12-17-15)8-6-5-7-9-16/h10,17H,4-9,11-13H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane?
3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 291.44 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 107055867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).