2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole

C16H27N — CID 102591752

IUPAC2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole
SMILESCCCc1c2c(c(CCC)n1CC)CCCC2
InChIInChI=1S/C16H27N/c1-4-9-15-13-11-7-8-12-14(13)16(10-5-2)17(15)6-3/h4-12H2,1-3H3
InChIKeyIVNWAMQXRNNGHS-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.29
Rot. Bonds5

About 2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole

2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole (PubChem CID 102591752) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole.

Molecular Properties

Compound Name2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole
PubChem CID102591752
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole
SMILESCCCc1c2c(c(CCC)n1CC)CCCC2
InChIInChI=1S/C16H27N/c1-4-9-15-13-11-7-8-12-14(13)16(10-5-2)17(15)6-3/h4-12H2,1-3H3
InChIKeyIVNWAMQXRNNGHS-UHFFFAOYSA-N
XLogP4.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole?
The IUPAC name of 2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole (CID 102591752) is 2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole.
What is the SMILES notation for 2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole?
The canonical SMILES for 2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole is CCCc1c2c(c(CCC)n1CC)CCCC2.
What is the InChIKey of 2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole?
The InChIKey is IVNWAMQXRNNGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-9-15-13-11-7-8-12-14(13)16(10-5-2)17(15)6-3/h4-12H2,1-3H3.
What are the key properties of 2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole?
2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole has a molecular weight of 233.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dipropyl-4,5,6,7-tetrahydroisoindole is sourced from PubChem (CID 102591752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).