5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine

C14H22BrN3 — CID 63406303

IUPAC5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine
SMILESCCC(Nc1ncc(Br)cc1N)C1CCCCC1
InChIInChI=1S/C14H22BrN3/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(15)9-17-14/h8-10,13H,2-7,16H2,1H3,(H,17,18)
InChIKeyRMSDQWZXWFVWRK-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.20
Rot. Bonds4

About 5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine

5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine (PubChem CID 63406303) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine
PubChem CID63406303
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine
SMILESCCC(Nc1ncc(Br)cc1N)C1CCCCC1
InChIInChI=1S/C14H22BrN3/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(15)9-17-14/h8-10,13H,2-7,16H2,1H3,(H,17,18)
InChIKeyRMSDQWZXWFVWRK-UHFFFAOYSA-N
XLogP4.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine (CID 63406303) is 5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine is CCC(Nc1ncc(Br)cc1N)C1CCCCC1.
What is the InChIKey of 5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine?
The InChIKey is RMSDQWZXWFVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(15)9-17-14/h8-10,13H,2-7,16H2,1H3,(H,17,18).
What are the key properties of 5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine?
5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine has a molecular weight of 312.25 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(1-cyclohexylpropyl)pyridine-2,3-diamine is sourced from PubChem (CID 63406303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).