(4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine

C12H23NO — CID 177000265

IUPAC(4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine
SMILESCOC[C@@]12CCCN(C)C1(C)CCC2
InChIInChI=1S/C12H23NO/c1-11-6-4-7-12(11,10-14-3)8-5-9-13(11)2/h4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyWCPUXWXWKFVNNL-PIJUOVFKSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds2

About (4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine

(4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine (PubChem CID 177000265) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name(4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine
PubChem CID177000265
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine
SMILESCOC[C@@]12CCCN(C)C1(C)CCC2
InChIInChI=1S/C12H23NO/c1-11-6-4-7-12(11,10-14-3)8-5-9-13(11)2/h4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyWCPUXWXWKFVNNL-PIJUOVFKSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine with MolForge

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Related Compounds

2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine
CID 118615709
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363
2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane
CID 168881561
1-(ethoxymethyl)-1-(methoxymethyl)cyclobutane
CID 122494327
2-(methoxymethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568360
2-(2,2-dimethylpyrrolidin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 63218107
2-(1-methoxyethyl)-1,2-dimethylpyrrolidine
CID 168881311
N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972737
1-hexyl-1-(methoxymethyl)cyclopentane
CID 143807105
3-ethyl-3-(methoxymethyl)-1-methylpyrrolidine
CID 130347228
ethane;1-(2-methoxyethyl)-1-(methoxymethyl)cyclopentane
CID 143807089
ethane;1-(methoxymethyl)-1-propylcyclopentane
CID 143806992

Frequently Asked Questions

What is the IUPAC name of (4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine?
The IUPAC name of (4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine (CID 177000265) is (4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine.
What is the SMILES notation for (4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine?
The canonical SMILES for (4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine is COC[C@@]12CCCN(C)C1(C)CCC2.
What is the InChIKey of (4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine?
The InChIKey is WCPUXWXWKFVNNL-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-6-4-7-12(11,10-14-3)8-5-9-13(11)2/h4-10H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of (4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine?
(4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine has a molecular weight of 197.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine is sourced from PubChem (CID 177000265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).