N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

C15H25N3O2 — CID 79903000

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1nn(C)c(C)c1CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H25N3O2/c1-11-14(12(2)18(3)17-11)9-16-13-4-6-20-15(8-13)5-7-19-10-15/h13,16H,4-10H2,1-3H3
InChIKeyLBJLFCXPGXFVKY-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.46
Rot. Bonds3

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79903000) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79903000
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1nn(C)c(C)c1CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H25N3O2/c1-11-14(12(2)18(3)17-11)9-16-13-4-6-20-15(8-13)5-7-19-10-15/h13,16H,4-10H2,1-3H3
InChIKeyLBJLFCXPGXFVKY-UHFFFAOYSA-N
XLogP1.46
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine
CID 63359786
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 106370958
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
1,1-dioxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thian-4-amine
CID 43614829
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 82737815
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236838

Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 79903000) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is Cc1nn(C)c(C)c1CNC1CCOC2(CCOC2)C1.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is LBJLFCXPGXFVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-14(12(2)18(3)17-11)9-16-13-4-6-20-15(8-13)5-7-19-10-15/h13,16H,4-10H2,1-3H3.
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 279.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).