1,3,3,4,5,6,7-heptamethyl-2-methylideneindole

C16H23N — CID 12844920

IUPAC1,3,3,4,5,6,7-heptamethyl-2-methylideneindole
SMILESC=C1N(C)c2c(C)c(C)c(C)c(C)c2C1(C)C
InChIInChI=1S/C16H23N/c1-9-10(2)12(4)15-14(11(9)3)16(6,7)13(5)17(15)8/h5H2,1-4,6-8H3
InChIKeyWAJIKUGFJIJHOR-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.16
Rot. Bonds

About 1,3,3,4,5,6,7-heptamethyl-2-methylideneindole

1,3,3,4,5,6,7-heptamethyl-2-methylideneindole (PubChem CID 12844920) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1,3,3,4,5,6,7-heptamethyl-2-methylideneindole.

Molecular Properties

Compound Name1,3,3,4,5,6,7-heptamethyl-2-methylideneindole
PubChem CID12844920
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1,3,3,4,5,6,7-heptamethyl-2-methylideneindole
SMILESC=C1N(C)c2c(C)c(C)c(C)c(C)c2C1(C)C
InChIInChI=1S/C16H23N/c1-9-10(2)12(4)15-14(11(9)3)16(6,7)13(5)17(15)8/h5H2,1-4,6-8H3
InChIKeyWAJIKUGFJIJHOR-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,5,6,7-heptamethyl-2-methylideneindole?
The IUPAC name of 1,3,3,4,5,6,7-heptamethyl-2-methylideneindole (CID 12844920) is 1,3,3,4,5,6,7-heptamethyl-2-methylideneindole.
What is the SMILES notation for 1,3,3,4,5,6,7-heptamethyl-2-methylideneindole?
The canonical SMILES for 1,3,3,4,5,6,7-heptamethyl-2-methylideneindole is C=C1N(C)c2c(C)c(C)c(C)c(C)c2C1(C)C.
What is the InChIKey of 1,3,3,4,5,6,7-heptamethyl-2-methylideneindole?
The InChIKey is WAJIKUGFJIJHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-9-10(2)12(4)15-14(11(9)3)16(6,7)13(5)17(15)8/h5H2,1-4,6-8H3.
What are the key properties of 1,3,3,4,5,6,7-heptamethyl-2-methylideneindole?
1,3,3,4,5,6,7-heptamethyl-2-methylideneindole has a molecular weight of 229.37 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,5,6,7-heptamethyl-2-methylideneindole is sourced from PubChem (CID 12844920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).