3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine

C10H14Br2N2 — CID 104779492

IUPAC3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
SMILESCCCN(CCBr)c1ccncc1Br
InChIInChI=1S/C10H14Br2N2/c1-2-6-14(7-4-11)10-3-5-13-8-9(10)12/h3,5,8H,2,4,6-7H2,1H3
InChIKeyHCMNLAPHWGGLTI-UHFFFAOYSA-N
MW322.04 g/mol
LogP3.46
Rot. Bonds5

About 3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine

3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine (PubChem CID 104779492) has the molecular formula C10H14Br2N2 and a molecular weight of 322.04 g/mol. Its IUPAC name is 3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
PubChem CID104779492
Molecular FormulaC10H14Br2N2
Molecular Weight322.04 g/mol
Exact Mass319.95
IUPAC Name3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
SMILESCCCN(CCBr)c1ccncc1Br
InChIInChI=1S/C10H14Br2N2/c1-2-6-14(7-4-11)10-3-5-13-8-9(10)12/h3,5,8H,2,4,6-7H2,1H3
InChIKeyHCMNLAPHWGGLTI-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.04
LogP ≤ 53.46
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 3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine?
The IUPAC name of 3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine (CID 104779492) is 3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine?
The canonical SMILES for 3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine is CCCN(CCBr)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine?
The InChIKey is HCMNLAPHWGGLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2/c1-2-6-14(7-4-11)10-3-5-13-8-9(10)12/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine?
3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine has a molecular weight of 322.04 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine is sourced from PubChem (CID 104779492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).