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

C15H26N6 — CID 107056138

IUPAC3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCn1nnc(CN2CC(C3CC3)NCC23CCCCC3)n1
InChIInChI=1S/C15H26N6/c1-20-18-14(17-19-20)10-21-9-13(12-5-6-12)16-11-15(21)7-3-2-4-8-15/h12-13,16H,2-11H2,1H3
InChIKeyWPAHBVUBZOCVDR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.10
Rot. Bonds3

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

3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 107056138) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID107056138
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCn1nnc(CN2CC(C3CC3)NCC23CCCCC3)n1
InChIInChI=1S/C15H26N6/c1-20-18-14(17-19-20)10-21-9-13(12-5-6-12)16-11-15(21)7-3-2-4-8-15/h12-13,16H,2-11H2,1H3
InChIKeyWPAHBVUBZOCVDR-UHFFFAOYSA-N
XLogP1.10
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.10
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-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106733303
3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055869
8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64860926
3-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 65170538
8-cyclopropyl-9-[(2-methyltetrazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055892
3-ethyl-3-methyl-4-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055949
2-[(2-methyltetrazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 107052579
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207
2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 107054772
9-methyl-10-[(2-methyltetrazol-5-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 107056270
2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 107045229

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane (CID 107056138) is 3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane is Cn1nnc(CN2CC(C3CC3)NCC23CCCCC3)n1.
What is the InChIKey of 3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is WPAHBVUBZOCVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-20-18-14(17-19-20)10-21-9-13(12-5-6-12)16-11-15(21)7-3-2-4-8-15/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane?
3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.41 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 107056138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).