3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane

C15H28N6 — CID 107055869

IUPAC3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CN(Cc2nnn(C)n2)C2(CCCCC2)CN1
InChIInChI=1S/C15H28N6/c1-4-14(2)12-21(10-13-17-19-20(3)18-13)15(11-16-14)8-6-5-7-9-15/h16H,4-12H2,1-3H3
InChIKeyZXWFNTCUWUDPBR-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.49
Rot. Bonds3

About 3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane

3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 107055869) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID107055869
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CN(Cc2nnn(C)n2)C2(CCCCC2)CN1
InChIInChI=1S/C15H28N6/c1-4-14(2)12-21(10-13-17-19-20(3)18-13)15(11-16-14)8-6-5-7-9-15/h16H,4-12H2,1-3H3
InChIKeyZXWFNTCUWUDPBR-UHFFFAOYSA-N
XLogP1.49
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055594
3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055867
3-ethyl-3-methyl-4-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055949
3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107056138
8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 81114319
8-ethyl-6,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64875613
3-ethyl-3,7-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056288
2,2,5,5-tetraethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine
CID 107056079
3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 116627505
8-ethyl-6-[2-(2-methoxyethoxy)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64878493
8-ethyl-6-[3-(2-methoxyethoxy)propyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 103414307
9-[(2-methyltetrazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055328

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane (CID 107055869) is 3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane is CCC1(C)CN(Cc2nnn(C)n2)C2(CCCCC2)CN1.
What is the InChIKey of 3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZXWFNTCUWUDPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-4-14(2)12-21(10-13-17-19-20(3)18-13)15(11-16-14)8-6-5-7-9-15/h16H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 292.43 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 107055869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).