5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine

C13H19BrN2 — CID 107079365

IUPAC5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine
SMILESCN(c1ccc(CBr)cn1)C1CCCCC1
InChIInChI=1S/C13H19BrN2/c1-16(12-5-3-2-4-6-12)13-8-7-11(9-14)10-15-13/h7-8,10,12H,2-6,9H2,1H3
InChIKeyKWQZFSHYHXBNMK-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.75
Rot. Bonds3

About 5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine

5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine (PubChem CID 107079365) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine
PubChem CID107079365
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine
SMILESCN(c1ccc(CBr)cn1)C1CCCCC1
InChIInChI=1S/C13H19BrN2/c1-16(12-5-3-2-4-6-12)13-8-7-11(9-14)10-15-13/h7-8,10,12H,2-6,9H2,1H3
InChIKeyKWQZFSHYHXBNMK-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine (CID 107079365) is 5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine is CN(c1ccc(CBr)cn1)C1CCCCC1.
What is the InChIKey of 5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine?
The InChIKey is KWQZFSHYHXBNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-16(12-5-3-2-4-6-12)13-8-7-11(9-14)10-15-13/h7-8,10,12H,2-6,9H2,1H3.
What are the key properties of 5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine?
5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine has a molecular weight of 283.21 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine is sourced from PubChem (CID 107079365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).