N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine

C12H19BrN2 — CID 115622533

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2/c1-3-5-8-15(4-2)10-12-7-6-11(13)9-14-12/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyIIAKBENQTXAZCN-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.47
Rot. Bonds6

About N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine

N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine (PubChem CID 115622533) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine
PubChem CID115622533
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2/c1-3-5-8-15(4-2)10-12-7-6-11(13)9-14-12/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyIIAKBENQTXAZCN-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Brompheniramine
CID 6834
2-Methylpyridine
CID 7975
2-Vinylpyridine
CID 7521
Dexbrompheniramine
CID 16960
Pralidoxime
CID 135398747
2-Propylpyridine
CID 69320
2-Pentylpyridine
CID 16800
2-Pyridinemethanamine
CID 19509
2-Ethylpyridine
CID 7523
2-Butylpyridine
CID 78750
2-Bromopyridine
CID 7973
2-(2-Pyrrolidinoethyl)pyridine
CID 238317

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine (CID 115622533) is N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine is CCCCN(CC)Cc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine?
The InChIKey is IIAKBENQTXAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-5-8-15(4-2)10-12-7-6-11(13)9-14-12/h6-7,9H,3-5,8,10H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine?
N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine has a molecular weight of 271.20 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 115622533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).