3,7-ditert-butyl-1-methylindole

C17H25N — CID 59882824

IUPAC3,7-ditert-butyl-1-methylindole
SMILESCn1cc(C(C)(C)C)c2cccc(C(C)(C)C)c21
InChIInChI=1S/C17H25N/c1-16(2,3)13-10-8-9-12-14(17(4,5)6)11-18(7)15(12)13/h8-11H,1-7H3
InChIKeyPAMXYMPLFZBEKF-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.77
Rot. Bonds

About 3,7-ditert-butyl-1-methylindole

3,7-ditert-butyl-1-methylindole (PubChem CID 59882824) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3,7-ditert-butyl-1-methylindole.

Molecular Properties

Compound Name3,7-ditert-butyl-1-methylindole
PubChem CID59882824
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3,7-ditert-butyl-1-methylindole
SMILESCn1cc(C(C)(C)C)c2cccc(C(C)(C)C)c21
InChIInChI=1S/C17H25N/c1-16(2,3)13-10-8-9-12-14(17(4,5)6)11-18(7)15(12)13/h8-11H,1-7H3
InChIKeyPAMXYMPLFZBEKF-UHFFFAOYSA-N
XLogP4.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-ditert-butyl-1-methylindole?
The IUPAC name of 3,7-ditert-butyl-1-methylindole (CID 59882824) is 3,7-ditert-butyl-1-methylindole.
What is the SMILES notation for 3,7-ditert-butyl-1-methylindole?
The canonical SMILES for 3,7-ditert-butyl-1-methylindole is Cn1cc(C(C)(C)C)c2cccc(C(C)(C)C)c21.
What is the InChIKey of 3,7-ditert-butyl-1-methylindole?
The InChIKey is PAMXYMPLFZBEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-16(2,3)13-10-8-9-12-14(17(4,5)6)11-18(7)15(12)13/h8-11H,1-7H3.
What are the key properties of 3,7-ditert-butyl-1-methylindole?
3,7-ditert-butyl-1-methylindole has a molecular weight of 243.39 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-ditert-butyl-1-methylindole is sourced from PubChem (CID 59882824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).