6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole

C12H17N — CID 89025776

IUPAC6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)NC(C(C)C)C2
InChIInChI=1S/C12H17N/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11/h4-6,8,11,13H,7H2,1-3H3
InChIKeyAAEHZVPDORJCIT-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.99
Rot. Bonds1

About 6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole

6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 89025776) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID89025776
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)NC(C(C)C)C2
InChIInChI=1S/C12H17N/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11/h4-6,8,11,13H,7H2,1-3H3
InChIKeyAAEHZVPDORJCIT-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole (CID 89025776) is 6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole is Cc1ccc2c(c1)NC(C(C)C)C2.
What is the InChIKey of 6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is AAEHZVPDORJCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11/h4-6,8,11,13H,7H2,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole?
6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 175.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 89025776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).