N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine

C11H17BrN2 — CID 80674163

IUPACN-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine
SMILESCCCN(CCBr)c1ccc(C)cn1
InChIInChI=1S/C11H17BrN2/c1-3-7-14(8-6-12)11-5-4-10(2)9-13-11/h4-5,9H,3,6-8H2,1-2H3
InChIKeyDCDBZAYSSWGYIF-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.00
Rot. Bonds5

About N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine

N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine (PubChem CID 80674163) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine
PubChem CID80674163
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC NameN-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine
SMILESCCCN(CCBr)c1ccc(C)cn1
InChIInChI=1S/C11H17BrN2/c1-3-7-14(8-6-12)11-5-4-10(2)9-13-11/h4-5,9H,3,6-8H2,1-2H3
InChIKeyDCDBZAYSSWGYIF-UHFFFAOYSA-N
XLogP3.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.00
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 N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine (CID 80674163) is N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine is CCCN(CCBr)c1ccc(C)cn1.
What is the InChIKey of N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine?
The InChIKey is DCDBZAYSSWGYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-7-14(8-6-12)11-5-4-10(2)9-13-11/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine?
N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine has a molecular weight of 257.17 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-5-methyl-N-propylpyridin-2-amine is sourced from PubChem (CID 80674163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).