4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride

C15H31Cl2N3O — CID 154906371

IUPAC4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride
SMILESCC(C)(CN1CCOCC1)CN1C[C@@H]2CCN[C@@H]2C1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-15(2,11-17-5-7-19-8-6-17)12-18-9-13-3-4-16-14(13)10-18;;/h13-14,16H,3-12H2,1-2H3;2*1H/t13-,14+;;/m0../s1
InChIKeyXCMFJEIROVWXHR-WICJZZOFSA-N
MW340.34 g/mol
LogP1.48
Rot. Bonds4

About 4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride

4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride (PubChem CID 154906371) has the molecular formula C15H31Cl2N3O and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride
PubChem CID154906371
Molecular FormulaC15H31Cl2N3O
Molecular Weight340.34 g/mol
Exact Mass339.18
IUPAC Name4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride
SMILESCC(C)(CN1CCOCC1)CN1C[C@@H]2CCN[C@@H]2C1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-15(2,11-17-5-7-19-8-6-17)12-18-9-13-3-4-16-14(13)10-18;;/h13-14,16H,3-12H2,1-2H3;2*1H/t13-,14+;;/m0../s1
InChIKeyXCMFJEIROVWXHR-WICJZZOFSA-N
XLogP1.48
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride with MolForge

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Related Compounds

(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
(3R,4R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4-fluoropyrrolidin-3-ol
CID 131925527
(3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850841
4-[3-[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride
CID 154906481
(3aS,6aS)-5-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850440
(3aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 166655921
(3aS,6aS)-5-pentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64851796
2-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-4-propan-2-ylmorpholine
CID 64850456
(3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
CID 155834911
4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine
CID 155472825
3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane
CID 64943808
2-methyl-1-morpholin-4-ylpropan-2-amine;dihydrochloride
CID 118511951

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride?
The IUPAC name of 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) is 4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride is CC(C)(CN1CCOCC1)CN1C[C@@H]2CCN[C@@H]2C1.Cl.Cl.
What is the InChIKey of 4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride?
The InChIKey is XCMFJEIROVWXHR-WICJZZOFSA-N. The full InChI is InChI=1S/C15H29N3O.2ClH/c1-15(2,11-17-5-7-19-8-6-17)12-18-9-13-3-4-16-14(13)10-18;;/h13-14,16H,3-12H2,1-2H3;2*1H/t13-,14+;;/m0../s1.
What are the key properties of 4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride?
4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride has a molecular weight of 340.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride is sourced from PubChem (CID 154906371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).