4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid

C19H30F3NO4 — CID 155841414

IUPAC4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
SMILESC1COC2CCN(CC3CC3)CC2(COCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H29NO2.C2HF3O2/c1-7-17(13-19-11-15-4-5-15)12-18(10-14-2-3-14)8-6-16(17)20-9-1;3-2(4,5)1(6)7/h14-16H,1-13H2;(H,6,7)
InChIKeyYLMUZWISURRVGK-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.33
Rot. Bonds6

About 4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid

4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 155841414) has the molecular formula C19H30F3NO4 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID155841414
Molecular FormulaC19H30F3NO4
Molecular Weight393.45 g/mol
Exact Mass393.21
IUPAC Name4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
SMILESC1COC2CCN(CC3CC3)CC2(COCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H29NO2.C2HF3O2/c1-7-17(13-19-11-15-4-5-15)12-18(10-14-2-3-14)8-6-16(17)20-9-1;3-2(4,5)1(6)7/h14-16H,1-13H2;(H,6,7)
InChIKeyYLMUZWISURRVGK-UHFFFAOYSA-N
XLogP3.33
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid 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 4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid (CID 155841414) is 4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid is C1COC2CCN(CC3CC3)CC2(COCC2CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is YLMUZWISURRVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2.C2HF3O2/c1-7-17(13-19-11-15-4-5-15)12-18(10-14-2-3-14)8-6-16(17)20-9-1;3-2(4,5)1(6)7/h14-16H,1-13H2;(H,6,7).
What are the key properties of 4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid?
4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 393.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155841414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).