2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole

C18H29N — CID 126708128

IUPAC2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole
SMILESCC(C)(C)Cc1ccc2c(c1)CC(CC(C)(C)C)N2
InChIInChI=1S/C18H29N/c1-17(2,3)11-13-7-8-16-14(9-13)10-15(19-16)12-18(4,5)6/h7-9,15,19H,10-12H2,1-6H3
InChIKeyJBBFDZSBDKMMID-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.05
Rot. Bonds2

About 2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole

2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole (PubChem CID 126708128) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole
PubChem CID126708128
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole
SMILESCC(C)(C)Cc1ccc2c(c1)CC(CC(C)(C)C)N2
InChIInChI=1S/C18H29N/c1-17(2,3)11-13-7-8-16-14(9-13)10-15(19-16)12-18(4,5)6/h7-9,15,19H,10-12H2,1-6H3
InChIKeyJBBFDZSBDKMMID-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole (CID 126708128) is 2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole is CC(C)(C)Cc1ccc2c(c1)CC(CC(C)(C)C)N2.
What is the InChIKey of 2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole?
The InChIKey is JBBFDZSBDKMMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-17(2,3)11-13-7-8-16-14(9-13)10-15(19-16)12-18(4,5)6/h7-9,15,19H,10-12H2,1-6H3.
What are the key properties of 2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole?
2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole has a molecular weight of 259.44 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 126708128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).