5-bromo-N-(cyclohexylmethyl)pyridin-2-amine

C12H17BrN2 — CID 43371576

IUPAC5-bromo-N-(cyclohexylmethyl)pyridin-2-amine
SMILESBrc1ccc(NCC2CCCCC2)nc1
InChIInChI=1S/C12H17BrN2/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,14,15)
InChIKeyBZOYZLBUHNXOLN-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.84
Rot. Bonds3

About 5-bromo-N-(cyclohexylmethyl)pyridin-2-amine

5-bromo-N-(cyclohexylmethyl)pyridin-2-amine (PubChem CID 43371576) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)pyridin-2-amine
PubChem CID43371576
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name5-bromo-N-(cyclohexylmethyl)pyridin-2-amine
SMILESBrc1ccc(NCC2CCCCC2)nc1
InChIInChI=1S/C12H17BrN2/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,14,15)
InChIKeyBZOYZLBUHNXOLN-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)pyridin-2-amine (CID 43371576) is 5-bromo-N-(cyclohexylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)pyridin-2-amine is Brc1ccc(NCC2CCCCC2)nc1.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)pyridin-2-amine?
The InChIKey is BZOYZLBUHNXOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-11-6-7-12(15-9-11)14-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,14,15).
What are the key properties of 5-bromo-N-(cyclohexylmethyl)pyridin-2-amine?
5-bromo-N-(cyclohexylmethyl)pyridin-2-amine has a molecular weight of 269.19 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)pyridin-2-amine is sourced from PubChem (CID 43371576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).