3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole

C17H25N — CID 18365556

IUPAC3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole
SMILESC=C1N(CC(C)C)c2c(C)ccc(C)c2C1(C)C
InChIInChI=1S/C17H25N/c1-11(2)10-18-14(5)17(6,7)15-12(3)8-9-13(4)16(15)18/h8-9,11H,5,10H2,1-4,6-7H3
InChIKeyXRUGXCSEQIVHIN-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.57
Rot. Bonds2

About 3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole

3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole (PubChem CID 18365556) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole.

Molecular Properties

Compound Name3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole
PubChem CID18365556
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole
SMILESC=C1N(CC(C)C)c2c(C)ccc(C)c2C1(C)C
InChIInChI=1S/C17H25N/c1-11(2)10-18-14(5)17(6,7)15-12(3)8-9-13(4)16(15)18/h8-9,11H,5,10H2,1-4,6-7H3
InChIKeyXRUGXCSEQIVHIN-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole?
The IUPAC name of 3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole (CID 18365556) is 3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole.
What is the SMILES notation for 3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole?
The canonical SMILES for 3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole is C=C1N(CC(C)C)c2c(C)ccc(C)c2C1(C)C.
What is the InChIKey of 3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole?
The InChIKey is XRUGXCSEQIVHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-11(2)10-18-14(5)17(6,7)15-12(3)8-9-13(4)16(15)18/h8-9,11H,5,10H2,1-4,6-7H3.
What are the key properties of 3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole?
3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole has a molecular weight of 243.39 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole is sourced from PubChem (CID 18365556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).