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

N'-[(5-bromo-2-pyridinyl)methyl]-N'-butylethane-1,2-diamine
CID 104798124
N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 115622395
2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol
CID 115622576
N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 113254240
5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine
CID 80669398
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204834
N'-(5-bromo-2-pyridinyl)-N'-butylethane-1,2-diamine
CID 62587985
2-N-[(5-bromo-2-pyridinyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190702
N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
CID 107487899
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
CID 167637244
N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 115622453
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine
CID 115622616

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).