2-(azepan-1-ylmethyl)-1,5-dimethylindole

C17H24N2 — CID 117185359

IUPAC2-(azepan-1-ylmethyl)-1,5-dimethylindole
SMILESCc1ccc2c(c1)cc(CN1CCCCCC1)n2C
InChIInChI=1S/C17H24N2/c1-14-7-8-17-15(11-14)12-16(18(17)2)13-19-9-5-3-4-6-10-19/h7-8,11-12H,3-6,9-10,13H2,1-2H3
InChIKeyVRPADCJHVKJVIJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.86
Rot. Bonds2

About 2-(azepan-1-ylmethyl)-1,5-dimethylindole

2-(azepan-1-ylmethyl)-1,5-dimethylindole (PubChem CID 117185359) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-1,5-dimethylindole.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-1,5-dimethylindole
PubChem CID117185359
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-(azepan-1-ylmethyl)-1,5-dimethylindole
SMILESCc1ccc2c(c1)cc(CN1CCCCCC1)n2C
InChIInChI=1S/C17H24N2/c1-14-7-8-17-15(11-14)12-16(18(17)2)13-19-9-5-3-4-6-10-19/h7-8,11-12H,3-6,9-10,13H2,1-2H3
InChIKeyVRPADCJHVKJVIJ-UHFFFAOYSA-N
XLogP3.86
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-1,5-dimethylindole?
The IUPAC name of 2-(azepan-1-ylmethyl)-1,5-dimethylindole (CID 117185359) is 2-(azepan-1-ylmethyl)-1,5-dimethylindole.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-1,5-dimethylindole?
The canonical SMILES for 2-(azepan-1-ylmethyl)-1,5-dimethylindole is Cc1ccc2c(c1)cc(CN1CCCCCC1)n2C.
What is the InChIKey of 2-(azepan-1-ylmethyl)-1,5-dimethylindole?
The InChIKey is VRPADCJHVKJVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-14-7-8-17-15(11-14)12-16(18(17)2)13-19-9-5-3-4-6-10-19/h7-8,11-12H,3-6,9-10,13H2,1-2H3.
What are the key properties of 2-(azepan-1-ylmethyl)-1,5-dimethylindole?
2-(azepan-1-ylmethyl)-1,5-dimethylindole has a molecular weight of 256.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)-1,5-dimethylindole is sourced from PubChem (CID 117185359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).