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

C12H19BrN2 — CID 104812047

IUPAC4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)CCc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2/c1-3-14-8-10(2)4-6-12-7-5-11(13)9-15-12/h5,7,9-10,14H,3-4,6,8H2,1-2H3
InChIKeyRXLQKBBKURZYAZ-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.02
Rot. Bonds6

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

4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 104812047) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine
PubChem CID104812047
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)CCc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2/c1-3-14-8-10(2)4-6-12-7-5-11(13)9-15-12/h5,7,9-10,14H,3-4,6,8H2,1-2H3
InChIKeyRXLQKBBKURZYAZ-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
5-bromo-2-(3-chloropentyl)pyridine
CID 104810095
5-bromo-2-(3-bromopentyl)pyridine
CID 104810136
3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104810436
5-bromo-2-(3-bromohexyl)pyridine
CID 104810132
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
CID 104812013
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 104810396
2-[(5-bromo-2-pyridinyl)methyl]-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 104810521
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721571
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine (CID 104812047) is 4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine is CCNCC(C)CCc1ccc(Br)cn1.
What is the InChIKey of 4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is RXLQKBBKURZYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-14-8-10(2)4-6-12-7-5-11(13)9-15-12/h5,7,9-10,14H,3-4,6,8H2,1-2H3.
What are the key properties of 4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine?
4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 271.20 g/mol, XLogP of 3.02, 6 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-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 104812047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).