5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine

C14H23BrN2 — CID 107080869

IUPAC5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CN(CC(C)C)c1ccc(CBr)cn1
InChIInChI=1S/C14H23BrN2/c1-11(2)9-17(10-12(3)4)14-6-5-13(7-15)8-16-14/h5-6,8,11-12H,7,9-10H2,1-4H3
InChIKeyPHSXFBCWRLQKGZ-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.09
Rot. Bonds6

About 5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine

5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine (PubChem CID 107080869) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine
PubChem CID107080869
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CN(CC(C)C)c1ccc(CBr)cn1
InChIInChI=1S/C14H23BrN2/c1-11(2)9-17(10-12(3)4)14-6-5-13(7-15)8-16-14/h5-6,8,11-12H,7,9-10H2,1-4H3
InChIKeyPHSXFBCWRLQKGZ-UHFFFAOYSA-N
XLogP4.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.09
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,N-bis(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine (CID 107080869) is 5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine is CC(C)CN(CC(C)C)c1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine?
The InChIKey is PHSXFBCWRLQKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-11(2)9-17(10-12(3)4)14-6-5-13(7-15)8-16-14/h5-6,8,11-12H,7,9-10H2,1-4H3.
What are the key properties of 5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine?
5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine has a molecular weight of 299.26 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 107080869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).