2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C11H22N2 — CID 58914458

IUPAC2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCN1CC2CN(C(C)C)CC2C1
InChIInChI=1S/C11H22N2/c1-4-12-5-10-7-13(9(2)3)8-11(10)6-12/h9-11H,4-8H2,1-3H3
InChIKeyKLSIKYBSNCZTGY-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.28
Rot. Bonds2

About 2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 58914458) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID58914458
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCN1CC2CN(C(C)C)CC2C1
InChIInChI=1S/C11H22N2/c1-4-12-5-10-7-13(9(2)3)8-11(10)6-12/h9-11H,4-8H2,1-3H3
InChIKeyKLSIKYBSNCZTGY-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine
CID 177246140
5-propan-2-yl-2-(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167418012
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 146201415
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 134414100
5-(2-methylpropyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 146572479
N-(1-ethylpiperidin-4-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241963
6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 171564760
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749
(2S,6R)-4-ethyl-2,6-dimethyl-1-propan-2-ylpiperazine
CID 135218538

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 58914458) is 2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CCN1CC2CN(C(C)C)CC2C1.
What is the InChIKey of 2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is KLSIKYBSNCZTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-12-5-10-7-13(9(2)3)8-11(10)6-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 182.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 58914458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).