(2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine

C16H27N3O2 — CID 129338399

IUPAC(2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine
SMILESC[C@@H]1CC(N[C@H]2CCCO[C@@H]2c2cnn(C)c2)C[C@@H](C)O1
InChIInChI=1S/C16H27N3O2/c1-11-7-14(8-12(2)21-11)18-15-5-4-6-20-16(15)13-9-17-19(3)10-13/h9-12,14-16,18H,4-8H2,1-3H3/t11-,12-,15+,16-/m1/s1
InChIKeyMZEOJFMMUWPQNG-AVRGHOLYSA-N
MW293.41 g/mol
LogP2.19
Rot. Bonds3

About (2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine

(2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine (PubChem CID 129338399) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine
PubChem CID129338399
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine
SMILESC[C@@H]1CC(N[C@H]2CCCO[C@@H]2c2cnn(C)c2)C[C@@H](C)O1
InChIInChI=1S/C16H27N3O2/c1-11-7-14(8-12(2)21-11)18-15-5-4-6-20-16(15)13-9-17-19(3)10-13/h9-12,14-16,18H,4-8H2,1-3H3/t11-,12-,15+,16-/m1/s1
InChIKeyMZEOJFMMUWPQNG-AVRGHOLYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine?
The IUPAC name of (2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine (CID 129338399) is (2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine is C[C@@H]1CC(N[C@H]2CCCO[C@@H]2c2cnn(C)c2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine?
The InChIKey is MZEOJFMMUWPQNG-AVRGHOLYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11-7-14(8-12(2)21-11)18-15-5-4-6-20-16(15)13-9-17-19(3)10-13/h9-12,14-16,18H,4-8H2,1-3H3/t11-,12-,15+,16-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine?
(2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine has a molecular weight of 293.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine is sourced from PubChem (CID 129338399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).