2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine

C15H30N2O2 — CID 66179040

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CCCC2CCCC21)OC
InChIInChI=1S/C15H30N2O2/c1-15(11-16,10-14(18-2)19-3)17-9-5-7-12-6-4-8-13(12)17/h12-14H,4-11,16H2,1-3H3
InChIKeyFXHXKEASYMOVHU-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.98
Rot. Bonds6

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

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine (PubChem CID 66179040) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
PubChem CID66179040
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CCCC2CCCC21)OC
InChIInChI=1S/C15H30N2O2/c1-15(11-16,10-14(18-2)19-3)17-9-5-7-12-6-4-8-13(12)17/h12-14H,4-11,16H2,1-3H3
InChIKeyFXHXKEASYMOVHU-UHFFFAOYSA-N
XLogP1.98
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine
CID 102725677
2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180835
2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66178255
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine
CID 113493229
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine
CID 82747633
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine
CID 82746702
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine
CID 103152610
2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66181206
3-(2-cyclopentylpyrrolidin-1-yl)-2-methoxypropan-1-amine
CID 106114735
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine
CID 106115066
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(aminomethyl)-4,4-dimethylpentan-1-one
CID 107472298

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine (CID 66179040) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine is COC(CC(C)(CN)N1CCCC2CCCC21)OC.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The InChIKey is FXHXKEASYMOVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(11-16,10-14(18-2)19-3)17-9-5-7-12-6-4-8-13(12)17/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine is sourced from PubChem (CID 66179040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).