1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine

C14H21BrN2 — CID 107009654

IUPAC1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1ccc(Br)cn1
InChIInChI=1S/C14H21BrN2/c1-3-4-5-6-7-8-13(16-2)14-10-9-12(15)11-17-14/h3,9-11,13,16H,1,4-8H2,2H3
InChIKeyLORBPYYODLTQGH-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.24
Rot. Bonds8

About 1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine

1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine (PubChem CID 107009654) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine
PubChem CID107009654
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1ccc(Br)cn1
InChIInChI=1S/C14H21BrN2/c1-3-4-5-6-7-8-13(16-2)14-10-9-12(15)11-17-14/h3,9-11,13,16H,1,4-8H2,2H3
InChIKeyLORBPYYODLTQGH-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.24
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

1-(5-fluoro-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009456
N-methyl-1-quinolin-2-yloct-7-en-1-amine
CID 107009092
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
N-methyl-1-(6-methyl-3-pyridinyl)oct-7-en-1-amine
CID 107011868
N-methyl-1-(1-methylpyrazol-3-yl)oct-7-en-1-amine
CID 107009195
1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine
CID 107012101
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
1-(4,6-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 114269406
1-(3,5-dimethyl-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009639
1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
CID 114201019
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 107011509

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine (CID 107009654) is 1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine is C=CCCCCCC(NC)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine?
The InChIKey is LORBPYYODLTQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-3-4-5-6-7-8-13(16-2)14-10-9-12(15)11-17-14/h3,9-11,13,16H,1,4-8H2,2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine?
1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine has a molecular weight of 297.24 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine is sourced from PubChem (CID 107009654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).