3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine

C15H19BrN2 — CID 11722722

IUPAC3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1CCC(c2c[nH]c3cc(Br)ccc23)C1
InChIInChI=1S/C15H19BrN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3
InChIKeyZQLQGTICMVYUAK-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.13
Rot. Bonds2

About 3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine

3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine (PubChem CID 11722722) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine
PubChem CID11722722
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1CCC(c2c[nH]c3cc(Br)ccc23)C1
InChIInChI=1S/C15H19BrN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3
InChIKeyZQLQGTICMVYUAK-UHFFFAOYSA-N
XLogP4.13
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine (CID 11722722) is 3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine is CN(C)C1CCC(c2c[nH]c3cc(Br)ccc23)C1.
What is the InChIKey of 3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine?
The InChIKey is ZQLQGTICMVYUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3.
What are the key properties of 3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine?
3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine has a molecular weight of 307.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1H-indol-3-yl)-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 11722722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).