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

C16H29NO3 — CID 131653147

IUPAC4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCOCCN1CCC2OCCCC2(COCC2CC2)C1
InChIInChI=1S/C16H29NO3/c1-18-10-8-17-7-5-15-16(12-17,6-2-9-20-15)13-19-11-14-3-4-14/h14-15H,2-13H2,1H3
InChIKeyQASASMSFTLZCOM-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.93
Rot. Bonds7

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

4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (PubChem CID 131653147) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.

Molecular Properties

Compound Name4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
PubChem CID131653147
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCOCCN1CCC2OCCCC2(COCC2CC2)C1
InChIInChI=1S/C16H29NO3/c1-18-10-8-17-7-5-15-16(12-17,6-2-9-20-15)13-19-11-14-3-4-14/h14-15H,2-13H2,1H3
InChIKeyQASASMSFTLZCOM-UHFFFAOYSA-N
XLogP1.93
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The IUPAC name of 4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (CID 131653147) is 4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.
What is the SMILES notation for 4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The canonical SMILES for 4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is COCCN1CCC2OCCCC2(COCC2CC2)C1.
What is the InChIKey of 4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The InChIKey is QASASMSFTLZCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-18-10-8-17-7-5-15-16(12-17,6-2-9-20-15)13-19-11-14-3-4-14/h14-15H,2-13H2,1H3.
What are the key properties of 4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine has a molecular weight of 283.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is sourced from PubChem (CID 131653147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).