1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine

C13H26N2O — CID 107505825

IUPAC1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CN1CCCC2CCCC21
InChIInChI=1S/C13H26N2O/c1-14-12(10-16-2)9-15-8-4-6-11-5-3-7-13(11)15/h11-14H,3-10H2,1-2H3
InChIKeyNKONOTTXYPLFNZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds5

About 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine

1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 107505825) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine
PubChem CID107505825
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CN1CCCC2CCCC21
InChIInChI=1S/C13H26N2O/c1-14-12(10-16-2)9-15-8-4-6-11-5-3-7-13(11)15/h11-14H,3-10H2,1-2H3
InChIKeyNKONOTTXYPLFNZ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine with MolForge

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Related Compounds

1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-methylpropan-2-amine
CID 107505972
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-(methylamino)butan-1-ol
CID 65321123
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methylbutan-2-amine
CID 82747657
methyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylpropanoate
CID 65320590
1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 107505926
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 102725921
3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64826732
1-(2-cyclopentylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475177
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypentan-2-amine
CID 102726953
1-(2,2-difluoroethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 130841053
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65320192
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N,2-dimethylpropan-1-amine
CID 62432600

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine (CID 107505825) is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine is CNC(COC)CN1CCCC2CCCC21.
What is the InChIKey of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is NKONOTTXYPLFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-12(10-16-2)9-15-8-4-6-11-5-3-7-13(11)15/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine?
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 107505825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).