3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine

C13H21BrN2 — CID 104799912

IUPAC3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
SMILESCCNC(C)C(CC)Cc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-4-12(10(3)16-5-2)6-11-7-13(14)9-15-8-11/h7-10,12,16H,4-6H2,1-3H3
InChIKeyZAKRGIZMAPFQTL-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.41
Rot. Bonds6

About 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine

3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine (PubChem CID 104799912) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
PubChem CID104799912
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
SMILESCCNC(C)C(CC)Cc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-4-12(10(3)16-5-2)6-11-7-13(14)9-15-8-11/h7-10,12,16H,4-6H2,1-3H3
InChIKeyZAKRGIZMAPFQTL-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

1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
3-(5-bromo-3-pyridinyl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 104803184
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
CID 104811963
2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine
CID 104804061
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105036587

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine (CID 104799912) is 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine is CCNC(C)C(CC)Cc1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine?
The InChIKey is ZAKRGIZMAPFQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-4-12(10(3)16-5-2)6-11-7-13(14)9-15-8-11/h7-10,12,16H,4-6H2,1-3H3.
What are the key properties of 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine?
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-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 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine is sourced from PubChem (CID 104799912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).