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

C14H24N4O — CID 79919786

IUPAC2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(C2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C14H24N4O/c1-13(2,15)12-10-18(17-16-12)11-5-8-19-14(9-11)6-3-4-7-14/h10-11H,3-9,15H2,1-2H3
InChIKeyUPHSDEGUPWVKDI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds2

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

2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine (PubChem CID 79919786) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
PubChem CID79919786
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(C2CCOC3(CCCC3)C2)nn1
InChIInChI=1S/C14H24N4O/c1-13(2,15)12-10-18(17-16-12)11-5-8-19-14(9-11)6-3-4-7-14/h10-11H,3-9,15H2,1-2H3
InChIKeyUPHSDEGUPWVKDI-UHFFFAOYSA-N
XLogP2.14
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)triazole-4-carboxylic acid
CID 79919425
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
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine
CID 79909028
4-(diethoxymethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)triazole
CID 79909027
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79920836
2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
CID 114778703
4-(1-bromoethyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)triazole
CID 81449694
4-bromo-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
CID 79903564
4-chloro-1-(6-oxaspiro[4.5]decan-9-yl)pyrazol-3-amine
CID 79903866
3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)triazol-4-yl]propan-1-amine
CID 106220792
4-bromo-3-iodo-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79907677

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine (CID 79919786) is 2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(C2CCOC3(CCCC3)C2)nn1.
What is the InChIKey of 2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine?
The InChIKey is UPHSDEGUPWVKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-13(2,15)12-10-18(17-16-12)11-5-8-19-14(9-11)6-3-4-7-14/h10-11H,3-9,15H2,1-2H3.
What are the key properties of 2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine?
2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine is sourced from PubChem (CID 79919786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).