bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride

C14H30Cl2N4 — CID 154734095

IUPACbis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride
SMILESCN1CCC2CNCC21.CN1CCC2CNCC21.Cl.Cl
InChIInChI=1S/2C7H14N2.2ClH/c2*1-9-3-2-6-4-8-5-7(6)9;;/h2*6-8H,2-5H2,1H3;2*1H
InChIKeyHAAVZWCOTJBTRL-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.66
Rot. Bonds

About bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride

bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride (PubChem CID 154734095) has the molecular formula C14H30Cl2N4 and a molecular weight of 325.33 g/mol. Its IUPAC name is bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride.

Molecular Properties

Compound Namebis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride
PubChem CID154734095
Molecular FormulaC14H30Cl2N4
Molecular Weight325.33 g/mol
Exact Mass324.18
IUPAC Namebis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride
SMILESCN1CCC2CNCC21.CN1CCC2CNCC21.Cl.Cl
InChIInChI=1S/2C7H14N2.2ClH/c2*1-9-3-2-6-4-8-5-7(6)9;;/h2*6-8H,2-5H2,1H3;2*1H
InChIKeyHAAVZWCOTJBTRL-UHFFFAOYSA-N
XLogP0.66
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 82418150
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CID 135392599
(3aS,6aS)-1-(3-methylbutyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole;hydrochloride
CID 130962018
(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 131031737
(3aR,6aR)-1-(3-methylbutyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 124825494
(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane
CID 96627763
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]propan-2-amine;hydrochloride
CID 131160056
(3aR,6aR)-1-(3-methyltriazol-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 131182459
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 67722841
(3aS,6aS)-1-(oxan-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 130761874
1-(2-methoxyethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681300
(4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine;tert-butyl (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
CID 161427506

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride?
The IUPAC name of bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride (CID 154734095) is bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride.
What is the SMILES notation for bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride?
The canonical SMILES for bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride is CN1CCC2CNCC21.CN1CCC2CNCC21.Cl.Cl.
What is the InChIKey of bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride?
The InChIKey is HAAVZWCOTJBTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14N2.2ClH/c2*1-9-3-2-6-4-8-5-7(6)9;;/h2*6-8H,2-5H2,1H3;2*1H.
What are the key properties of bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride?
bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride has a molecular weight of 325.33 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride is sourced from PubChem (CID 154734095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).