5-(5-bromo-3-pyridinyl)pentan-2-amine

C10H15BrN2 — CID 104811907

IUPAC5-(5-bromo-3-pyridinyl)pentan-2-amine
SMILESCC(N)CCCc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2/c1-8(12)3-2-4-9-5-10(11)7-13-6-9/h5-8H,2-4,12H2,1H3
InChIKeyZGUIABQHYGFFTR-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.51
Rot. Bonds4

About 5-(5-bromo-3-pyridinyl)pentan-2-amine

5-(5-bromo-3-pyridinyl)pentan-2-amine (PubChem CID 104811907) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 5-(5-bromo-3-pyridinyl)pentan-2-amine.

Molecular Properties

Compound Name5-(5-bromo-3-pyridinyl)pentan-2-amine
PubChem CID104811907
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name5-(5-bromo-3-pyridinyl)pentan-2-amine
SMILESCC(N)CCCc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2/c1-8(12)3-2-4-9-5-10(11)7-13-6-9/h5-8H,2-4,12H2,1H3
InChIKeyZGUIABQHYGFFTR-UHFFFAOYSA-N
XLogP2.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine
CID 104811931
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
CID 104811963
1-(5-bromo-3-pyridinyl)hexan-3-amine
CID 104799822
6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
CID 104812007
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
1-(5-bromo-3-pyridinyl)octan-2-amine
CID 105036807
3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
CID 104800164
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
CID 104810395
(2S)-4-(3,5-dibromophenyl)butan-2-amine
CID 130719784
4-(5-bromo-3-pyridinyl)butanoic acid
CID 104813709

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-pyridinyl)pentan-2-amine?
The IUPAC name of 5-(5-bromo-3-pyridinyl)pentan-2-amine (CID 104811907) is 5-(5-bromo-3-pyridinyl)pentan-2-amine.
What is the SMILES notation for 5-(5-bromo-3-pyridinyl)pentan-2-amine?
The canonical SMILES for 5-(5-bromo-3-pyridinyl)pentan-2-amine is CC(N)CCCc1cncc(Br)c1.
What is the InChIKey of 5-(5-bromo-3-pyridinyl)pentan-2-amine?
The InChIKey is ZGUIABQHYGFFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-8(12)3-2-4-9-5-10(11)7-13-6-9/h5-8H,2-4,12H2,1H3.
What are the key properties of 5-(5-bromo-3-pyridinyl)pentan-2-amine?
5-(5-bromo-3-pyridinyl)pentan-2-amine has a molecular weight of 243.15 g/mol, XLogP of 2.51, 4 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)pentan-2-amine is sourced from PubChem (CID 104811907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).