5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine

C13H19BrN4 — CID 103518287

IUPAC5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine
SMILESCN1C2CCC1CN(c1c(N)cncc1Br)CC2
InChIInChI=1S/C13H19BrN4/c1-17-9-2-3-10(17)8-18(5-4-9)13-11(14)6-16-7-12(13)15/h6-7,9-10H,2-5,8,15H2,1H3
InChIKeyLEPRXJVSCJGDCT-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.10
Rot. Bonds1

About 5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine

5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine (PubChem CID 103518287) has the molecular formula C13H19BrN4 and a molecular weight of 311.23 g/mol. Its IUPAC name is 5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine
PubChem CID103518287
Molecular FormulaC13H19BrN4
Molecular Weight311.23 g/mol
Exact Mass310.08
IUPAC Name5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine
SMILESCN1C2CCC1CN(c1c(N)cncc1Br)CC2
InChIInChI=1S/C13H19BrN4/c1-17-9-2-3-10(17)8-18(5-4-9)13-11(14)6-16-7-12(13)15/h6-7,9-10H,2-5,8,15H2,1H3
InChIKeyLEPRXJVSCJGDCT-UHFFFAOYSA-N
XLogP2.10
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine (CID 103518287) is 5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine is CN1C2CCC1CN(c1c(N)cncc1Br)CC2.
What is the InChIKey of 5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine?
The InChIKey is LEPRXJVSCJGDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4/c1-17-9-2-3-10(17)8-18(5-4-9)13-11(14)6-16-7-12(13)15/h6-7,9-10H,2-5,8,15H2,1H3.
What are the key properties of 5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine?
5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine has a molecular weight of 311.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine is sourced from PubChem (CID 103518287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).