(2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol

C19H37NO2 — CID 98184716

About (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol

(2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol (PubChem CID 98184716) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
• PubChem CID: 98184716
• Molecular Formula: C19H37NO2
• Molecular Weight: 311.51 g/mol
• Exact Mass: 311.28
• IUPAC Name: (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
• SMILES: CC(C)N(C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C(C)C
• InChI: InChI=1S/C19H37NO2/c1-13(2)20(14(3)4)11-16(21)12-22-17-10-15-8-9-19(17,7)18(15,5)6/h13-17,21H,8-12H2,1-7H3/t15-,16+,17+,19-/m0/s1
• InChIKey: MPYNMCRQCDYTCP-FAJBIJEISA-N
• XLogP: 3.70
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.51
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

The IUPAC name of (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol (CID 98184716) is (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol.

What is the SMILES notation for (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

The canonical SMILES for (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol is CC(C)N(C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C(C)C.

What is the InChIKey of (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

The InChIKey is MPYNMCRQCDYTCP-FAJBIJEISA-N. The full InChI is InChI=1S/C19H37NO2/c1-13(2)20(14(3)4)11-16(21)12-22-17-10-15-8-9-19(17,7)18(15,5)6/h13-17,21H,8-12H2,1-7H3/t15-,16+,17+,19-/m0/s1.

What are the key properties of (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

(2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol has a molecular weight of 311.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol is sourced from PubChem (CID 98184716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).