N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine

C16H27N3O2 — CID 79907034

IUPACN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccn(C2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C16H27N3O2/c1-15(2,3)17-11-13-4-7-19(18-13)14-5-8-21-16(10-14)6-9-20-12-16/h4,7,14,17H,5-6,8-12H2,1-3H3
InChIKeyPRSFXOPASRNNRZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.28
Rot. Bonds3

About N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79907034) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID79907034
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccn(C2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C16H27N3O2/c1-15(2,3)17-11-13-4-7-19(18-13)14-5-8-21-16(10-14)6-9-20-12-16/h4,7,14,17H,5-6,8-12H2,1-3H3
InChIKeyPRSFXOPASRNNRZ-UHFFFAOYSA-N
XLogP2.28
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine (CID 79907034) is N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccn(C2CCOC3(CCOC3)C2)n1.
What is the InChIKey of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PRSFXOPASRNNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-15(2,3)17-11-13-4-7-19(18-13)14-5-8-21-16(10-14)6-9-20-12-16/h4,7,14,17H,5-6,8-12H2,1-3H3.
What are the key properties of N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79907034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).