2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine

C13H21BrN2 — CID 104810652

IUPAC2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)Cc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-4-13(5-2,10-15-3)7-11-6-12(14)9-16-8-11/h6,8-9,15H,4-5,7,10H2,1-3H3
InChIKeyLMFXHWSCASVCFH-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.41
Rot. Bonds6

About 2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine

2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine (PubChem CID 104810652) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine
PubChem CID104810652
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)Cc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-4-13(5-2,10-15-3)7-11-6-12(14)9-16-8-11/h6,8-9,15H,4-5,7,10H2,1-3H3
InChIKeyLMFXHWSCASVCFH-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine
CID 113455824
2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
CID 104813142
3-[2,2-bis(bromomethyl)pentyl]-5-bromopyridine
CID 104813519
3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 104810566
N-[(5-bromo-3-pyridinyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252231
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
CID 104810395
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113456069
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
CID 104811963
2-[(5-bromo-3-pyridinyl)methyl]-2-methylpentanoic acid
CID 104800669
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine (CID 104810652) is 2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine is CCC(CC)(CNC)Cc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine?
The InChIKey is LMFXHWSCASVCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-4-13(5-2,10-15-3)7-11-6-12(14)9-16-8-11/h6,8-9,15H,4-5,7,10H2,1-3H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine?
2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine has a molecular weight of 285.23 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 104810652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).