3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine

C11H17BrN2 — CID 104810396

IUPAC3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2/c1-9(2)13-7-3-4-11-6-5-10(12)8-14-11/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyLLGXUFXLPGNBCT-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.77
Rot. Bonds5

About 3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine

3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine (PubChem CID 104810396) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
PubChem CID104810396
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2/c1-9(2)13-7-3-4-11-6-5-10(12)8-14-11/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyLLGXUFXLPGNBCT-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
CID 104811937
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
CID 104812013
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
CID 167637244
6-[2-(propan-2-ylamino)ethyl]pyridin-3-amine
CID 107340080
2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 113455860
5-bromo-2-(4-chloroheptyl)pyridine
CID 104812176
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 104813876
5-bromo-2-(3-phenylpropyl)pyridine
CID 22127052
4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine
CID 104812047
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
5-bromo-2-(3-chloropentyl)pyridine
CID 104810095

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine (CID 104810396) is 3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1ccc(Br)cn1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is LLGXUFXLPGNBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-9(2)13-7-3-4-11-6-5-10(12)8-14-11/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine?
3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 257.18 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 104810396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).