4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine

C10H15BrN2 — CID 104811937

IUPAC4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
SMILESCNCCCCc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2/c1-12-7-3-2-4-10-6-5-9(11)8-13-10/h5-6,8,12H,2-4,7H2,1H3
InChIKeyPYWUEWHTFSOGKA-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.39
Rot. Bonds5

About 4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine

4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine (PubChem CID 104811937) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
PubChem CID104811937
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
SMILESCNCCCCc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2/c1-12-7-3-2-4-10-6-5-9(11)8-13-10/h5-6,8,12H,2-4,7H2,1H3
InChIKeyPYWUEWHTFSOGKA-UHFFFAOYSA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.39
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

3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 104810396
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
CID 167637244
5-bromo-2-(10,10,10-trifluorodecyl)pyridine
CID 151052015
5-bromo-2-(4-cyclopropylbutyl)pyridine
CID 71137385
5-bromo-2-(3-phenylpropyl)pyridine
CID 22127052
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
CID 104812013
ethyl 5-(5-bromo-2-pyridinyl)pentanoate
CID 23581271
5-bromo-2-(4-chloroheptyl)pyridine
CID 104812176
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine
CID 107320331
4-(5-bromo-2-pyridinyl)butan-2-one
CID 104799733

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine?
The IUPAC name of 4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine (CID 104811937) is 4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine is CNCCCCc1ccc(Br)cn1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine?
The InChIKey is PYWUEWHTFSOGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-12-7-3-2-4-10-6-5-9(11)8-13-10/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine?
4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine has a molecular weight of 243.15 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine is sourced from PubChem (CID 104811937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).