2-(3-methylbutyl)-1,3-dihydroisoindole

C13H19N — CID 1402693

IUPAC2-(3-methylbutyl)-1,3-dihydroisoindole
SMILESCC(C)CCN1Cc2ccccc2C1
InChIInChI=1S/C13H19N/c1-11(2)7-8-14-9-12-5-3-4-6-13(12)10-14/h3-6,11H,7-10H2,1-2H3
InChIKeyAAZVPMBRWXXXRV-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.05
Rot. Bonds3

About 2-(3-methylbutyl)-1,3-dihydroisoindole

2-(3-methylbutyl)-1,3-dihydroisoindole (PubChem CID 1402693) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(3-methylbutyl)-1,3-dihydroisoindole
PubChem CID1402693
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(3-methylbutyl)-1,3-dihydroisoindole
SMILESCC(C)CCN1Cc2ccccc2C1
InChIInChI=1S/C13H19N/c1-11(2)7-8-14-9-12-5-3-4-6-13(12)10-14/h3-6,11H,7-10H2,1-2H3
InChIKeyAAZVPMBRWXXXRV-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(3-methylbutyl)-1,3-dihydroisoindole (CID 1402693) is 2-(3-methylbutyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(3-methylbutyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(3-methylbutyl)-1,3-dihydroisoindole is CC(C)CCN1Cc2ccccc2C1.
What is the InChIKey of 2-(3-methylbutyl)-1,3-dihydroisoindole?
The InChIKey is AAZVPMBRWXXXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11(2)7-8-14-9-12-5-3-4-6-13(12)10-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-1,3-dihydroisoindole?
2-(3-methylbutyl)-1,3-dihydroisoindole has a molecular weight of 189.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1,3-dihydroisoindole is sourced from PubChem (CID 1402693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).