(3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

C16H30N2O2 — CID 138809012

IUPAC(3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESCC(C)(CN1CCOCC1)CN1C[C@H]2CC(O)C[C@H]2C1
InChIInChI=1S/C16H30N2O2/c1-16(2,11-17-3-5-20-6-4-17)12-18-9-13-7-15(19)8-14(13)10-18/h13-15,19H,3-12H2,1-2H3/t13-,14+,15?
InChIKeyUBCGLIBEXCDYPE-YIONKMFJSA-N
MW282.43 g/mol
LogP1.05
Rot. Bonds4

About (3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

(3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 138809012) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name(3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID138809012
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESCC(C)(CN1CCOCC1)CN1C[C@H]2CC(O)C[C@H]2C1
InChIInChI=1S/C16H30N2O2/c1-16(2,11-17-3-5-20-6-4-17)12-18-9-13-7-15(19)8-14(13)10-18/h13-15,19H,3-12H2,1-2H3/t13-,14+,15?
InChIKeyUBCGLIBEXCDYPE-YIONKMFJSA-N
XLogP1.05
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol with MolForge

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Related Compounds

(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol
CID 131925527
4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride
CID 154906371
3-(morpholin-4-ylmethyl)cyclobutan-1-ol
CID 68619351
4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine
CID 155472825
1,2-dimorpholin-4-ylpropan-2-ol
CID 154210663
N,N-bis(2,2-dimethyl-3-morpholin-4-ylpropyl)acetamide
CID 100937943
4-(3-bromo-2,2-dimethylpropyl)-1,4-oxazepane
CID 64997840
2-methyl-1-morpholin-4-ylpropan-2-amine;dihydrochloride
CID 118511951
2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol
CID 62972933
4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
CID 97194980
4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride
CID 154906481
(3aS,6aR)-5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid
CID 56912722

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of (3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 138809012) is (3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for (3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for (3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is CC(C)(CN1CCOCC1)CN1C[C@H]2CC(O)C[C@H]2C1.
What is the InChIKey of (3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is UBCGLIBEXCDYPE-YIONKMFJSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,11-17-3-5-20-6-4-17)12-18-9-13-7-15(19)8-14(13)10-18/h13-15,19H,3-12H2,1-2H3/t13-,14+,15?.
What are the key properties of (3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
(3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 282.43 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 138809012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).