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

C13H23N3O — CID 103581242

IUPAC2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine
SMILESCc1nn(C)c(C)c1CNC1(C)CCOC1C
InChIInChI=1S/C13H23N3O/c1-9-12(10(2)16(5)15-9)8-14-13(4)6-7-17-11(13)3/h11,14H,6-8H2,1-5H3
InChIKeyDGGCFMJPUABNAI-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.69
Rot. Bonds3

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

2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine (PubChem CID 103581242) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine
PubChem CID103581242
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine
SMILESCc1nn(C)c(C)c1CNC1(C)CCOC1C
InChIInChI=1S/C13H23N3O/c1-9-12(10(2)16(5)15-9)8-14-13(4)6-7-17-11(13)3/h11,14H,6-8H2,1-5H3
InChIKeyDGGCFMJPUABNAI-UHFFFAOYSA-N
XLogP1.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine?
The IUPAC name of 2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine (CID 103581242) is 2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine is Cc1nn(C)c(C)c1CNC1(C)CCOC1C.
What is the InChIKey of 2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine?
The InChIKey is DGGCFMJPUABNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-12(10(2)16(5)15-9)8-14-13(4)6-7-17-11(13)3/h11,14H,6-8H2,1-5H3.
What are the key properties of 2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine?
2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine has a molecular weight of 237.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 103581242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).