3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine

C12H19BrN2 — CID 104810566

IUPAC3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)Cc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-4-14-9-12(2,3)6-10-5-11(13)8-15-7-10/h5,7-8,14H,4,6,9H2,1-3H3
InChIKeySRUJTVDLYCYTBD-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.02
Rot. Bonds5

About 3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine

3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 104810566) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID104810566
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)Cc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-4-14-9-12(2,3)6-10-5-11(13)8-15-7-10/h5,7-8,14H,4,6,9H2,1-3H3
InChIKeySRUJTVDLYCYTBD-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine
CID 113455824
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 104810652
N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104857055
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
N-[(5-bromo-3-pyridinyl)methyl]-5-chloro-2,2-dimethylpentan-1-amine
CID 106140672
1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113456069
2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
CID 104813142
2-[(5-bromo-3-pyridinyl)methyl]-2-methylpentanoic acid
CID 104800669
3-[2,2-bis(bromomethyl)pentyl]-5-bromopyridine
CID 104813519
N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine
CID 62726135
N-[(5-bromo-3-pyridinyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252231

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 104810566) is 3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNCC(C)(C)Cc1cncc(Br)c1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is SRUJTVDLYCYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-4-14-9-12(2,3)6-10-5-11(13)8-15-7-10/h5,7-8,14H,4,6,9H2,1-3H3.
What are the key properties of 3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine?
3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 271.20 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 104810566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).