6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine

C16H20BrN3 — CID 79861972

IUPAC6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine
SMILESCC1(C)CCCC1Nc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C16H20BrN3/c1-16(2)7-3-4-14(16)20-15-11-8-10(17)5-6-13(11)19-9-12(15)18/h5-6,8-9,14H,3-4,7,18H2,1-2H3,(H,19,20)
InChIKeyPWMJEBIPVPMIAS-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.57
Rot. Bonds2

About 6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine

6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine (PubChem CID 79861972) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine
PubChem CID79861972
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine
SMILESCC1(C)CCCC1Nc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C16H20BrN3/c1-16(2)7-3-4-14(16)20-15-11-8-10(17)5-6-13(11)19-9-12(15)18/h5-6,8-9,14H,3-4,7,18H2,1-2H3,(H,19,20)
InChIKeyPWMJEBIPVPMIAS-UHFFFAOYSA-N
XLogP4.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine (CID 79861972) is 6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine is CC1(C)CCCC1Nc1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine?
The InChIKey is PWMJEBIPVPMIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-16(2)7-3-4-14(16)20-15-11-8-10(17)5-6-13(11)19-9-12(15)18/h5-6,8-9,14H,3-4,7,18H2,1-2H3,(H,19,20).
What are the key properties of 6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine?
6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine has a molecular weight of 334.26 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine is sourced from PubChem (CID 79861972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).