5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine

C14H22BrN3 — CID 79535102

IUPAC5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
SMILESCC(C)C1CCCN(c2ncc(N)cc2Br)CC1
InChIInChI=1S/C14H22BrN3/c1-10(2)11-4-3-6-18(7-5-11)14-13(15)8-12(16)9-17-14/h8-11H,3-7,16H2,1-2H3
InChIKeyYSDZLLIYYXYZFM-UHFFFAOYSA-N
MW312.26 g/mol
LogP3.69
Rot. Bonds2

About 5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine

5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine (PubChem CID 79535102) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
PubChem CID79535102
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
SMILESCC(C)C1CCCN(c2ncc(N)cc2Br)CC1
InChIInChI=1S/C14H22BrN3/c1-10(2)11-4-3-6-18(7-5-11)14-13(15)8-12(16)9-17-14/h8-11H,3-7,16H2,1-2H3
InChIKeyYSDZLLIYYXYZFM-UHFFFAOYSA-N
XLogP3.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine (CID 79535102) is 5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine is CC(C)C1CCCN(c2ncc(N)cc2Br)CC1.
What is the InChIKey of 5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine?
The InChIKey is YSDZLLIYYXYZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-10(2)11-4-3-6-18(7-5-11)14-13(15)8-12(16)9-17-14/h8-11H,3-7,16H2,1-2H3.
What are the key properties of 5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine?
5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine has a molecular weight of 312.26 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine is sourced from PubChem (CID 79535102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).