N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine

C14H23BrN2 — CID 143966335

IUPACN-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine
SMILESCCCCCN(CCC)Cc1cccc(Br)n1
InChIInChI=1S/C14H23BrN2/c1-3-5-6-11-17(10-4-2)12-13-8-7-9-14(15)16-13/h7-9H,3-6,10-12H2,1-2H3
InChIKeyFGBNUQXEDVFZGK-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.25
Rot. Bonds8

About N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine

N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine (PubChem CID 143966335) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine
PubChem CID143966335
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine
SMILESCCCCCN(CCC)Cc1cccc(Br)n1
InChIInChI=1S/C14H23BrN2/c1-3-5-6-11-17(10-4-2)12-13-8-7-9-14(15)16-13/h7-9H,3-6,10-12H2,1-2H3
InChIKeyFGBNUQXEDVFZGK-UHFFFAOYSA-N
XLogP4.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(dibutylamino)methyl]-N-methylpyridin-2-amine
CID 79243168
1-N-[(6-bromo-2-pyridinyl)methyl]-1-N,4-N-dipropyl-4-N-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]hexane-1,4-diamine
CID 87703323
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]butan-1-amine
CID 63984550
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 63985137
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621
N-benzyl-N-propylhexan-1-amine
CID 123983090
2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol
CID 79039725
6-bromo-N,N-dibutylpyridin-2-amine
CID 63961710
1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine
CID 126996740
N-[(3-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426450
N-ethyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106905733

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine (CID 143966335) is N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine is CCCCCN(CCC)Cc1cccc(Br)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine?
The InChIKey is FGBNUQXEDVFZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-3-5-6-11-17(10-4-2)12-13-8-7-9-14(15)16-13/h7-9H,3-6,10-12H2,1-2H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine?
N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine has a molecular weight of 299.26 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine is sourced from PubChem (CID 143966335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).