5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine

C12H19BrN2 — CID 104811963

IUPAC5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-3-15-10(2)5-4-6-11-7-12(13)9-14-8-11/h7-10,15H,3-6H2,1-2H3
InChIKeyLRJLIXPYQXUFLC-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.16
Rot. Bonds6

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

5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine (PubChem CID 104811963) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
PubChem CID104811963
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-3-15-10(2)5-4-6-11-7-12(13)9-14-8-11/h7-10,15H,3-6H2,1-2H3
InChIKeyLRJLIXPYQXUFLC-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
CID 104812007
4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
CID 104800074
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
CID 104796938
6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine
CID 104811931
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
CID 104810395
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
CID 104799912
3-N-[(5-bromo-3-pyridinyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 104796826
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine?
The IUPAC name of 5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine (CID 104811963) is 5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine.
What is the SMILES notation for 5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine?
The canonical SMILES for 5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine is CCNC(C)CCCc1cncc(Br)c1.
What is the InChIKey of 5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine?
The InChIKey is LRJLIXPYQXUFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-15-10(2)5-4-6-11-7-12(13)9-14-8-11/h7-10,15H,3-6H2,1-2H3.
What are the key properties of 5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine?
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine has a molecular weight of 271.20 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 104811963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).