(2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone

C18H24N2O — CID 102558162

IUPAC(2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CC(C)CCCC3C)[nH]c2c1
InChIInChI=1S/C18H24N2O/c1-12-7-8-15-10-17(19-16(15)9-12)18(21)20-11-13(2)5-4-6-14(20)3/h7-10,13-14,19H,4-6,11H2,1-3H3
InChIKeyWYYZQHFNYRQOGX-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.13
Rot. Bonds1

About (2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone

(2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 102558162) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone
PubChem CID102558162
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CC(C)CCCC3C)[nH]c2c1
InChIInChI=1S/C18H24N2O/c1-12-7-8-15-10-17(19-16(15)9-12)18(21)20-11-13(2)5-4-6-14(20)3/h7-10,13-14,19H,4-6,11H2,1-3H3
InChIKeyWYYZQHFNYRQOGX-UHFFFAOYSA-N
XLogP4.13
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone (CID 102558162) is (2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone is Cc1ccc2cc(C(=O)N3CC(C)CCCC3C)[nH]c2c1.
What is the InChIKey of (2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The InChIKey is WYYZQHFNYRQOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-7-8-15-10-17(19-16(15)9-12)18(21)20-11-13(2)5-4-6-14(20)3/h7-10,13-14,19H,4-6,11H2,1-3H3.
What are the key properties of (2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
(2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 102558162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).