5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole

C13H23N — CID 130900561

IUPAC5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
SMILESC1CC1CCC1CCC2CNCC2C1
InChIInChI=1S/C13H23N/c1-2-10(1)3-4-11-5-6-12-8-14-9-13(12)7-11/h10-14H,1-9H2
InChIKeyHTTYOHYZHBVVCD-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.81
Rot. Bonds3

About 5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole

5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole (PubChem CID 130900561) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole.

Molecular Properties

Compound Name5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
PubChem CID130900561
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
SMILESC1CC1CCC1CCC2CNCC2C1
InChIInChI=1S/C13H23N/c1-2-10(1)3-4-11-5-6-12-8-14-9-13(12)7-11/h10-14H,1-9H2
InChIKeyHTTYOHYZHBVVCD-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane
CID 176921987
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-5-thiol
CID 141422755
5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 105428512
(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ol
CID 74889665
5-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 130804480
3-azabicyclo[3.1.0]hexane;dihydrochloride
CID 140512684
N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-amine
CID 130794629
(5-cyclohexylpiperidin-3-yl)methanol
CID 83915896
3-cyclopropyl-5-methylpiperidine
CID 82594091
3-propylbicyclo[4.2.0]octane
CID 145186098

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The IUPAC name of 5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole (CID 130900561) is 5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole.
What is the SMILES notation for 5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The canonical SMILES for 5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole is C1CC1CCC1CCC2CNCC2C1.
What is the InChIKey of 5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The InChIKey is HTTYOHYZHBVVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-10(1)3-4-11-5-6-12-8-14-9-13(12)7-11/h10-14H,1-9H2.
What are the key properties of 5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole has a molecular weight of 193.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole is sourced from PubChem (CID 130900561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).