5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine

C11H15BrN2 — CID 115774111

IUPAC5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
SMILESC/C=C/CCNc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2/c1-3-4-5-6-13-11-7-9(2)10(12)8-14-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/b4-3+
InChIKeyDQSCHQUUKDJEDF-ONEGZZNKSA-N
MW255.16 g/mol
LogP3.53
Rot. Bonds4

About 5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine

5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine (PubChem CID 115774111) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
PubChem CID115774111
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
SMILESC/C=C/CCNc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2/c1-3-4-5-6-13-11-7-9(2)10(12)8-14-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/b4-3+
InChIKeyDQSCHQUUKDJEDF-ONEGZZNKSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine
CID 114869393
5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 115774199
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
CID 115774058
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113340036
5-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]pyridin-2-amine
CID 114869282
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
CID 113340028
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 114869367

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine (CID 115774111) is 5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine is C/C=C/CCNc1cc(C)c(Br)cn1.
What is the InChIKey of 5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine?
The InChIKey is DQSCHQUUKDJEDF-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-3-4-5-6-13-11-7-9(2)10(12)8-14-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/b4-3+.
What are the key properties of 5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine?
5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine has a molecular weight of 255.16 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine is sourced from PubChem (CID 115774111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).