1-ethyl-1,3-dimethylisoindole

C12H15N — CID 58651835

IUPAC1-ethyl-1,3-dimethylisoindole
SMILESCCC1(C)N=C(C)c2ccccc21
InChIInChI=1S/C12H15N/c1-4-12(3)11-8-6-5-7-10(11)9(2)13-12/h5-8H,4H2,1-3H3
InChIKeyBBVOZHBZVOGPEX-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.13
Rot. Bonds1

About 1-ethyl-1,3-dimethylisoindole

1-ethyl-1,3-dimethylisoindole (PubChem CID 58651835) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-ethyl-1,3-dimethylisoindole.

Molecular Properties

Compound Name1-ethyl-1,3-dimethylisoindole
PubChem CID58651835
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-ethyl-1,3-dimethylisoindole
SMILESCCC1(C)N=C(C)c2ccccc21
InChIInChI=1S/C12H15N/c1-4-12(3)11-8-6-5-7-10(11)9(2)13-12/h5-8H,4H2,1-3H3
InChIKeyBBVOZHBZVOGPEX-UHFFFAOYSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-diethyl-1-methylbenzo[de]isoquinoline
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3-methylspiro[azirine-2,9'-fluorene]
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9-methyl-9-[2-(2-methylphenyl)phenyl]fluorene;propane
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9-ethyl-4,9-dimethylfluorene
CID 145360802
9-methyl-9-propylfluorene
CID 13283188
9-ethyl-9-methyl-10H-acridine
CID 22754271
ethane;1,3,3-trimethyl-4H-isoquinoline
CID 91378568
1,3,3-trimethyl-4H-isoquinoline;hydrochloride
CID 52995067
(9-ethylfluoren-9-yl)methanethiol
CID 167224564
9-ethyl-9-propylfluorene
CID 123584741
9-ethyl-9-propan-2-ylfluorene
CID 142424661

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-dimethylisoindole?
The IUPAC name of 1-ethyl-1,3-dimethylisoindole (CID 58651835) is 1-ethyl-1,3-dimethylisoindole.
What is the SMILES notation for 1-ethyl-1,3-dimethylisoindole?
The canonical SMILES for 1-ethyl-1,3-dimethylisoindole is CCC1(C)N=C(C)c2ccccc21.
What is the InChIKey of 1-ethyl-1,3-dimethylisoindole?
The InChIKey is BBVOZHBZVOGPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-4-12(3)11-8-6-5-7-10(11)9(2)13-12/h5-8H,4H2,1-3H3.
What are the key properties of 1-ethyl-1,3-dimethylisoindole?
1-ethyl-1,3-dimethylisoindole has a molecular weight of 173.26 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-dimethylisoindole is sourced from PubChem (CID 58651835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).