2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine

C14H23BrN2 — CID 113455824

IUPAC2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)Cc1cncc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-4-14(5-2,11-16-6-3)8-12-7-13(15)10-17-9-12/h7,9-10,16H,4-6,8,11H2,1-3H3
InChIKeyVWPIOQNVVWOKTP-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.80
Rot. Bonds7

About 2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine

2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine (PubChem CID 113455824) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine
PubChem CID113455824
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)Cc1cncc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-4-14(5-2,11-16-6-3)8-12-7-13(15)10-17-9-12/h7,9-10,16H,4-6,8,11H2,1-3H3
InChIKeyVWPIOQNVVWOKTP-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 104810652
3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 104810566
2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
CID 104813142
N-[(5-bromo-3-pyridinyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252231
3-[2,2-bis(bromomethyl)pentyl]-5-bromopyridine
CID 104813519
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63508796
1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113456069
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
CID 104810395
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
2-[(5-bromo-3-pyridinyl)methyl]-2-methylpentanoic acid
CID 104800669

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine (CID 113455824) is 2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine is CCNCC(CC)(CC)Cc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine?
The InChIKey is VWPIOQNVVWOKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-14(5-2,11-16-6-3)8-12-7-13(15)10-17-9-12/h7,9-10,16H,4-6,8,11H2,1-3H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine?
2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine has a molecular weight of 299.26 g/mol, XLogP of 3.80, 7 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]-N,2-diethylbutan-1-amine is sourced from PubChem (CID 113455824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).