1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole

C13H19N — CID 58916423

IUPAC1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole
SMILESCC(C)CC1=CN(C)C2C=CC=CC12
InChIInChI=1S/C13H19N/c1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13/h4-7,9-10,12-13H,8H2,1-3H3
InChIKeySMBSBYCAXYNXRI-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.97
Rot. Bonds2

About 1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole

1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole (PubChem CID 58916423) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole
PubChem CID58916423
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole
SMILESCC(C)CC1=CN(C)C2C=CC=CC12
InChIInChI=1S/C13H19N/c1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13/h4-7,9-10,12-13H,8H2,1-3H3
InChIKeySMBSBYCAXYNXRI-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole?
The IUPAC name of 1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole (CID 58916423) is 1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole is CC(C)CC1=CN(C)C2C=CC=CC12.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole?
The InChIKey is SMBSBYCAXYNXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13/h4-7,9-10,12-13H,8H2,1-3H3.
What are the key properties of 1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole?
1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole has a molecular weight of 189.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)-3a,7a-dihydroindole is sourced from PubChem (CID 58916423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).