1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole

C17H22N2 — CID 66695530

IUPAC1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole
SMILESc1[nH]c(Cc2[nH]cc3c2CCCC3)c2c1CCCC2
InChIInChI=1S/C17H22N2/c1-3-7-14-12(5-1)10-18-16(14)9-17-15-8-4-2-6-13(15)11-19-17/h10-11,18-19H,1-9H2
InChIKeySQNMXBZETVSPAE-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.69
Rot. Bonds2

About 1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole

1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole (PubChem CID 66695530) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole
PubChem CID66695530
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole
SMILESc1[nH]c(Cc2[nH]cc3c2CCCC3)c2c1CCCC2
InChIInChI=1S/C17H22N2/c1-3-7-14-12(5-1)10-18-16(14)9-17-15-8-4-2-6-13(15)11-19-17/h10-11,18-19H,1-9H2
InChIKeySQNMXBZETVSPAE-UHFFFAOYSA-N
XLogP3.69
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole?
The IUPAC name of 1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole (CID 66695530) is 1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole is c1[nH]c(Cc2[nH]cc3c2CCCC3)c2c1CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole?
The InChIKey is SQNMXBZETVSPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-7-14-12(5-1)10-18-16(14)9-17-15-8-4-2-6-13(15)11-19-17/h10-11,18-19H,1-9H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole?
1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole has a molecular weight of 254.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-2H-isoindol-1-ylmethyl)-4,5,6,7-tetrahydro-2H-isoindole is sourced from PubChem (CID 66695530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).