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

C16H27N3O2 — CID 129339482

IUPAC(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
SMILESC[C@@H]1CC(NC[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H](C)O1
InChIInChI=1S/C16H27N3O2/c1-11-8-14(9-12(2)21-11)17-10-13-5-7-20-16(13)15-4-6-18-19(15)3/h4,6,11-14,16-17H,5,7-10H2,1-3H3/t11-,12+,13-,14?,16+/m0/s1
InChIKeyORKNQTITMOBFRB-AMMIGWFGSA-N
MW293.41 g/mol
LogP2.04
Rot. Bonds4

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

(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine (PubChem CID 129339482) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
PubChem CID129339482
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
SMILESC[C@@H]1CC(NC[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H](C)O1
InChIInChI=1S/C16H27N3O2/c1-11-8-14(9-12(2)21-11)17-10-13-5-7-20-16(13)15-4-6-18-19(15)3/h4,6,11-14,16-17H,5,7-10H2,1-3H3/t11-,12+,13-,14?,16+/m0/s1
InChIKeyORKNQTITMOBFRB-AMMIGWFGSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine?
The IUPAC name of (2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine (CID 129339482) is (2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine is C[C@@H]1CC(NC[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine?
The InChIKey is ORKNQTITMOBFRB-AMMIGWFGSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11-8-14(9-12(2)21-11)17-10-13-5-7-20-16(13)15-4-6-18-19(15)3/h4,6,11-14,16-17H,5,7-10H2,1-3H3/t11-,12+,13-,14?,16+/m0/s1.
What are the key properties of (2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine?
(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine has a molecular weight of 293.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine is sourced from PubChem (CID 129339482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).