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

C12H19BrN2 — CID 112582303

IUPACN-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cccc(Br)n1
InChIInChI=1S/C12H19BrN2/c1-3-4-6-10(2)14-9-11-7-5-8-12(13)15-11/h5,7-8,10,14H,3-4,6,9H2,1-2H3
InChIKeyOCGMDESHXANNCN-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.51
Rot. Bonds6

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

N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine (PubChem CID 112582303) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine
PubChem CID112582303
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cccc(Br)n1
InChIInChI=1S/C12H19BrN2/c1-3-4-6-10(2)14-9-11-7-5-8-12(13)15-11/h5,7-8,10,14H,3-4,6,9H2,1-2H3
InChIKeyOCGMDESHXANNCN-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methoxy-2-pyridinyl)methyl]hexan-2-amine
CID 63985472
N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine
CID 112581921
2-N-[(6-bromo-2-pyridinyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 112582243
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 103936797
N-(quinoxalin-2-ylmethyl)hexan-2-amine
CID 55050397
N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 112582241
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
CID 115717931
N-(pyridazin-3-ylmethyl)heptan-2-amine
CID 106895304
2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide
CID 112582236
N-(pyrimidin-2-ylmethyl)hexan-2-amine
CID 62700861

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine (CID 112582303) is N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine is CCCCC(C)NCc1cccc(Br)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine?
The InChIKey is OCGMDESHXANNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-4-6-10(2)14-9-11-7-5-8-12(13)15-11/h5,7-8,10,14H,3-4,6,9H2,1-2H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine?
N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine has a molecular weight of 271.20 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine is sourced from PubChem (CID 112582303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).