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

C16H28N4O — CID 79910573

IUPAC2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncnn1C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H28N4O/c1-13(2)10-17-11-15-18-12-19-20(15)14-5-8-21-16(9-14)6-3-4-7-16/h12-14,17H,3-11H2,1-2H3
InChIKeyOKDXGPGRNPJOIV-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.69
Rot. Bonds5

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

2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine (PubChem CID 79910573) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
PubChem CID79910573
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncnn1C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H28N4O/c1-13(2)10-17-11-15-18-12-19-20(15)14-5-8-21-16(9-14)6-3-4-7-16/h12-14,17H,3-11H2,1-2H3
InChIKeyOKDXGPGRNPJOIV-UHFFFAOYSA-N
XLogP2.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 79910571
N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 79910560
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919453
1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine
CID 165465012
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]ethyl]propan-1-amine
CID 79919225
N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine
CID 79910321
4-(1-chloroethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrazole
CID 79919589
N-[[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]methyl]ethanamine
CID 79909835
2-methyl-N-(2-methylpropyl)-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79923005

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine (CID 79910573) is 2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine is CC(C)CNCc1ncnn1C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The InChIKey is OKDXGPGRNPJOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)10-17-11-15-18-12-19-20(15)14-5-8-21-16(9-14)6-3-4-7-16/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79910573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).