2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

C19H31F3N2O5 — CID 155829294

IUPAC2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COCC12CCCOC1CCN(CC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H30N2O3.C2HF3O2/c1-18(2)16(20)11-21-13-17-7-3-9-22-15(17)6-8-19(12-17)10-14-4-5-14;3-2(4,5)1(6)7/h14-15H,3-13H2,1-2H3;(H,6,7)
InChIKeyHAXHBXPEQMKOQV-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.01
Rot. Bonds6

About 2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155829294) has the molecular formula C19H31F3N2O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155829294
Molecular FormulaC19H31F3N2O5
Molecular Weight424.46 g/mol
Exact Mass424.22
IUPAC Name2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)COCC12CCCOC1CCN(CC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H30N2O3.C2HF3O2/c1-18(2)16(20)11-21-13-17-7-3-9-22-15(17)6-8-19(12-17)10-14-4-5-14;3-2(4,5)1(6)7/h14-15H,3-13H2,1-2H3;(H,6,7)
InChIKeyHAXHBXPEQMKOQV-UHFFFAOYSA-N
XLogP2.01
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;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 2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (CID 155829294) is 2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)COCC12CCCOC1CCN(CC1CC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is HAXHBXPEQMKOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3.C2HF3O2/c1-18(2)16(20)11-21-13-17-7-3-9-22-15(17)6-8-19(12-17)10-14-4-5-14;3-2(4,5)1(6)7/h14-15H,3-13H2,1-2H3;(H,6,7).
What are the key properties of 2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 424.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(cyclopropylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155829294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).