1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine

C13H21BrN2 — CID 105036421

IUPAC1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
SMILESCCCCCC(Cc1ccc(Br)cn1)NC
InChIInChI=1S/C13H21BrN2/c1-3-4-5-6-12(15-2)9-13-8-7-11(14)10-16-13/h7-8,10,12,15H,3-6,9H2,1-2H3
InChIKeyMXTRGYWYADUKEU-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.55
Rot. Bonds7

About 1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine

1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine (PubChem CID 105036421) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
PubChem CID105036421
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
SMILESCCCCCC(Cc1ccc(Br)cn1)NC
InChIInChI=1S/C13H21BrN2/c1-3-4-5-6-12(15-2)9-13-8-7-11(14)10-16-13/h7-8,10,12,15H,3-6,9H2,1-2H3
InChIKeyMXTRGYWYADUKEU-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
CID 105036225
1-(5-bromo-2-pyridinyl)-N-methyl-4-propoxybutan-2-amine
CID 105180890
1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine
CID 104803172
1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine
CID 105014407
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 104801904
1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine
CID 105036982
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 104801496
1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
CID 115844394
1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
CID 115844762
3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 113455051

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine (CID 105036421) is 1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine is CCCCCC(Cc1ccc(Br)cn1)NC.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine?
The InChIKey is MXTRGYWYADUKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-3-4-5-6-12(15-2)9-13-8-7-11(14)10-16-13/h7-8,10,12,15H,3-6,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine?
1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine has a molecular weight of 285.23 g/mol, XLogP of 3.55, 7 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-methylheptan-2-amine is sourced from PubChem (CID 105036421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).