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

C12H21N3O — CID 63359786

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine
SMILESCc1nn(C)c(C)c1CNC1CCCOC1
InChIInChI=1S/C12H21N3O/c1-9-12(10(2)15(3)14-9)7-13-11-5-4-6-16-8-11/h11,13H,4-8H2,1-3H3
InChIKeyVIJHPUVXZVXGJN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.31
Rot. Bonds3

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

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine (PubChem CID 63359786) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine
PubChem CID63359786
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine
SMILESCc1nn(C)c(C)c1CNC1CCCOC1
InChIInChI=1S/C12H21N3O/c1-9-12(10(2)15(3)14-9)7-13-11-5-4-6-16-8-11/h11,13H,4-8H2,1-3H3
InChIKeyVIJHPUVXZVXGJN-UHFFFAOYSA-N
XLogP1.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine (CID 63359786) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine is Cc1nn(C)c(C)c1CNC1CCCOC1.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine?
The InChIKey is VIJHPUVXZVXGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-12(10(2)15(3)14-9)7-13-11-5-4-6-16-8-11/h11,13H,4-8H2,1-3H3.
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine is sourced from PubChem (CID 63359786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).