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

C12H19BrN2 — CID 91610818

IUPACN-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1cccc(Br)n1
InChIInChI=1S/C12H19BrN2/c1-2-3-4-5-9-14-10-11-7-6-8-12(13)15-11/h6-8,14H,2-5,9-10H2,1H3
InChIKeyGPECACYUVRMPNK-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.51
Rot. Bonds7

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

N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine (PubChem CID 91610818) 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-1-amine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
PubChem CID91610818
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1cccc(Br)n1
InChIInChI=1S/C12H19BrN2/c1-2-3-4-5-9-14-10-11-7-6-8-12(13)15-11/h6-8,14H,2-5,9-10H2,1H3
InChIKeyGPECACYUVRMPNK-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
CID 106840570
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine
CID 112582303
N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 112581880
2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide
CID 112581934
3-[(6-bromo-2-pyridinyl)methylamino]propanoic acid
CID 112581911
N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 115938175
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 112582147
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112582356

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine (CID 91610818) is N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine is CCCCCCNCc1cccc(Br)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine?
The InChIKey is GPECACYUVRMPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-2-3-4-5-9-14-10-11-7-6-8-12(13)15-11/h6-8,14H,2-5,9-10H2,1H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine?
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine has a molecular weight of 271.20 g/mol, XLogP of 3.51, 7 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-1-amine is sourced from PubChem (CID 91610818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).