2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine

C10H19NO — CID 117045688

IUPAC2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine
SMILESCC1(C)CCC2NCCCC2O1
InChIInChI=1S/C10H19NO/c1-10(2)6-5-8-9(12-10)4-3-7-11-8/h8-9,11H,3-7H2,1-2H3
InChIKeyMVLJUGNLPONUGG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds

About 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine

2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine (PubChem CID 117045688) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine.

Molecular Properties

Compound Name2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine
PubChem CID117045688
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine
SMILESCC1(C)CCC2NCCCC2O1
InChIInChI=1S/C10H19NO/c1-10(2)6-5-8-9(12-10)4-3-7-11-8/h8-9,11H,3-7H2,1-2H3
InChIKeyMVLJUGNLPONUGG-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine with MolForge

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Related Compounds

2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 65101979
7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine
CID 143671086
1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 116522866
(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
CID 130792375
1',1',2',2'-tetramethylspiro[2,3,4,4a,6,7,8,8a-octahydro-1H-quinoline-5,3'-cyclopropane]
CID 140941153
2-(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24164
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614880
(3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine
CID 154970415
(3aS,7aS)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine
CID 154970470
2-tert-butyl-6,6-dimethyl-1,3-oxazinane
CID 154614463
(2S)-2-(2-methylcyclopropyl)pyrrolidine
CID 134335415
2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride
CID 138402066

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine?
The IUPAC name of 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine (CID 117045688) is 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine.
What is the SMILES notation for 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine?
The canonical SMILES for 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine is CC1(C)CCC2NCCCC2O1.
What is the InChIKey of 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine?
The InChIKey is MVLJUGNLPONUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2)6-5-8-9(12-10)4-3-7-11-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine?
2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine has a molecular weight of 169.27 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine is sourced from PubChem (CID 117045688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).