3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine

C13H22N4O2 — CID 106220794

IUPAC3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(C2CCOC3(CCOC3)C2)nn1
InChIInChI=1S/C13H22N4O2/c14-5-1-2-11-9-17(16-15-11)12-3-6-19-13(8-12)4-7-18-10-13/h9,12H,1-8,10,14H2
InChIKeyLMGVJCHCOPNHQU-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.68
Rot. Bonds4

About 3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine

3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine (PubChem CID 106220794) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine
PubChem CID106220794
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(C2CCOC3(CCOC3)C2)nn1
InChIInChI=1S/C13H22N4O2/c14-5-1-2-11-9-17(16-15-11)12-3-6-19-13(8-12)4-7-18-10-13/h9,12H,1-8,10,14H2
InChIKeyLMGVJCHCOPNHQU-UHFFFAOYSA-N
XLogP0.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)triazol-4-yl]propan-1-amine
CID 106220792
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]acetic acid
CID 107461399
3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)triazol-4-yl]propanoic acid
CID 107460768
2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
CID 114778703
N-[[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]methyl]ethanamine
CID 79909835
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]ethanamine
CID 79909032
2-(1-cyclopropyltriazol-4-yl)ethanamine
CID 84649663
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine
CID 79909028
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine
CID 79920296
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79910310
4-[1-(4-ethylcyclohexyl)triazol-4-yl]butan-1-amine
CID 113424708
2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
CID 79919786

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine (CID 106220794) is 3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine is NCCCc1cn(C2CCOC3(CCOC3)C2)nn1.
What is the InChIKey of 3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine?
The InChIKey is LMGVJCHCOPNHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c14-5-1-2-11-9-17(16-15-11)12-3-6-19-13(8-12)4-7-18-10-13/h9,12H,1-8,10,14H2.
What are the key properties of 3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine?
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106220794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).