3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol

C18H28N2O — CID 65322650

IUPAC3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN1CCCC2CCCC21)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-19-18(14-21,16-9-3-2-4-10-16)13-20-12-6-8-15-7-5-11-17(15)20/h2-4,9-10,15,17,19,21H,5-8,11-14H2,1H3
InChIKeyUAMLXOMZEKUTEI-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.36
Rot. Bonds5

About 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 65322650) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID65322650
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN1CCCC2CCCC21)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-19-18(14-21,16-9-3-2-4-10-16)13-20-12-6-8-15-7-5-11-17(15)20/h2-4,9-10,15,17,19,21H,5-8,11-14H2,1H3
InChIKeyUAMLXOMZEKUTEI-UHFFFAOYSA-N
XLogP2.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol with MolForge

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Related Compounds

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 65324595
3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64790980
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylpropan-2-amine
CID 62487218
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 64827049
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 65324305
2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol
CID 64796768
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371052
3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol
CID 64790992
4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695614
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 65322460
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64787052
3-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-phenylpropan-1-ol
CID 64788960

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol (CID 65322650) is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol is CNC(CO)(CN1CCCC2CCCC21)c1ccccc1.
What is the InChIKey of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is UAMLXOMZEKUTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-19-18(14-21,16-9-3-2-4-10-16)13-20-12-6-8-15-7-5-11-17(15)20/h2-4,9-10,15,17,19,21H,5-8,11-14H2,1H3.
What are the key properties of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 65322650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).