N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine

C16H27N3O2 — CID 71929265

IUPACN-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
SMILESCc1nn(C)c(C)c1C1OCCC1CNC1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-11-15(12(2)19(3)18-11)16-13(4-9-21-16)10-17-14-5-7-20-8-6-14/h13-14,16-17H,4-10H2,1-3H3
InChIKeyMLVVBTZKUMZKHW-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.88
Rot. Bonds4

About N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine

N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine (PubChem CID 71929265) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
PubChem CID71929265
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
SMILESCc1nn(C)c(C)c1C1OCCC1CNC1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-11-15(12(2)19(3)18-11)16-13(4-9-21-16)10-17-14-5-7-20-8-6-14/h13-14,16-17H,4-10H2,1-3H3
InChIKeyMLVVBTZKUMZKHW-UHFFFAOYSA-N
XLogP1.88
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
The IUPAC name of N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine (CID 71929265) is N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine is Cc1nn(C)c(C)c1C1OCCC1CNC1CCOCC1.
What is the InChIKey of N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
The InChIKey is MLVVBTZKUMZKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11-15(12(2)19(3)18-11)16-13(4-9-21-16)10-17-14-5-7-20-8-6-14/h13-14,16-17H,4-10H2,1-3H3.
What are the key properties of N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine has a molecular weight of 293.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine is sourced from PubChem (CID 71929265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).