6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

C9H17NO — CID 70350904

IUPAC6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCN1CCC2OCCCC2C1
InChIInChI=1S/C9H17NO/c1-10-5-4-9-8(7-10)3-2-6-11-9/h8-9H,2-7H2,1H3
InChIKeyFHJJGNRFAFFCPR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds

About 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (PubChem CID 70350904) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.

Molecular Properties

Compound Name6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
PubChem CID70350904
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCN1CCC2OCCCC2C1
InChIInChI=1S/C9H17NO/c1-10-5-4-9-8(7-10)3-2-6-11-9/h8-9H,2-7H2,1H3
InChIKeyFHJJGNRFAFFCPR-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

octahydro-2H-pyrano(3,2-c)pyridine
CID 15557571
rac-(4aR,8aR)-octahydro-2H-pyrano[3,2-c]pyridine
CID 92794230
4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine
CID 137411578
3-Methyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazine
CID 13172216
6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131644652
6-(cyclopropylmethyl)-4a-(ethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131663655
(4aS,8aR)-8-butyl-7-methyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyridine
CID 10398246
(4aR,8aR)-3-methyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazine
CID 13172218
(2S,4aR,8aR)-2,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazine
CID 102532691
(2R,4aR,8aS)-2,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazine
CID 102532692
1-(methoxymethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 57794852
1-Propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine
CID 58110251

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The IUPAC name of 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (CID 70350904) is 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.
What is the SMILES notation for 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The canonical SMILES for 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is CN1CCC2OCCCC2C1.
What is the InChIKey of 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The InChIKey is FHJJGNRFAFFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-5-4-9-8(7-10)3-2-6-11-9/h8-9H,2-7H2,1H3.
What are the key properties of 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine has a molecular weight of 155.24 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is sourced from PubChem (CID 70350904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).