5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine

C12H19BrN2 — CID 107080438

IUPAC5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1ccc(CBr)cn1
InChIInChI=1S/C12H19BrN2/c1-4-11(5-2)15(3)12-7-6-10(8-13)9-14-12/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyLPLGUPRUZQPDNB-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.60
Rot. Bonds5

About 5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine

5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine (PubChem CID 107080438) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
PubChem CID107080438
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1ccc(CBr)cn1
InChIInChI=1S/C12H19BrN2/c1-4-11(5-2)15(3)12-7-6-10(8-13)9-14-12/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyLPLGUPRUZQPDNB-UHFFFAOYSA-N
XLogP3.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.60
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-methyl-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine (CID 107080438) is 5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(C)c1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine?
The InChIKey is LPLGUPRUZQPDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-4-11(5-2)15(3)12-7-6-10(8-13)9-14-12/h6-7,9,11H,4-5,8H2,1-3H3.
What are the key properties of 5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine?
5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 107080438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).