N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine

C15H26N4O2 — CID 79910560

IUPACN-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncnn1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H26N4O2/c1-12(2)16-10-14-17-11-18-19(14)13-3-6-21-15(9-13)4-7-20-8-5-15/h11-13,16H,3-10H2,1-2H3
InChIKeyZWTQLDGDZFAHTH-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.68
Rot. Bonds4

About N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine

N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine (PubChem CID 79910560) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
PubChem CID79910560
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncnn1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H26N4O2/c1-12(2)16-10-14-17-11-18-19(14)13-3-6-21-15(9-13)4-7-20-8-5-15/h11-13,16H,3-10H2,1-2H3
InChIKeyZWTQLDGDZFAHTH-UHFFFAOYSA-N
XLogP1.68
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[2-(6-oxaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 79910573
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-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806
N-[[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79910305
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol
CID 79920064
N-[[2-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 114624010
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919582
2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
CID 154823510
N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine
CID 79910321
N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]ethyl]propan-1-amine
CID 79919225
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine
CID 79903246
N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 80715224

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine (CID 79910560) is N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine is CC(C)NCc1ncnn1C1CCOC2(CCOCC2)C1.
What is the InChIKey of N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The InChIKey is ZWTQLDGDZFAHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(2)16-10-14-17-11-18-19(14)13-3-6-21-15(9-13)4-7-20-8-5-15/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine?
N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine has a molecular weight of 294.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79910560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).