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

C14H26N6 — CID 107055594

IUPAC3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCn1nnc(CN2CC(C)(C)NCC23CCCCC3)n1
InChIInChI=1S/C14H26N6/c1-13(2)11-20(9-12-16-18-19(3)17-12)14(10-15-13)7-5-4-6-8-14/h15H,4-11H2,1-3H3
InChIKeyVISFAOUNQHFDPU-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.10
Rot. Bonds2

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

3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 107055594) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID107055594
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCn1nnc(CN2CC(C)(C)NCC23CCCCC3)n1
InChIInChI=1S/C14H26N6/c1-13(2)11-20(9-12-16-18-19(3)17-12)14(10-15-13)7-5-4-6-8-14/h15H,4-11H2,1-3H3
InChIKeyVISFAOUNQHFDPU-UHFFFAOYSA-N
XLogP1.10
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055869
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
8,8-dimethyl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64840920
5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
CID 112644875
3,3-dimethyl-1-(2-propan-2-yloxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64841115
9-[(2-methyltetrazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055328
8,8-dimethyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64842470
3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane
CID 83168130
2,2,5,5-tetraethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine
CID 107056079
3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055867
3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane
CID 107901521

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane (CID 107055594) is 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane is Cn1nnc(CN2CC(C)(C)NCC23CCCCC3)n1.
What is the InChIKey of 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is VISFAOUNQHFDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-13(2)11-20(9-12-16-18-19(3)17-12)14(10-15-13)7-5-4-6-8-14/h15H,4-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 278.40 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 107055594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).