1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine

C14H21BrN2 — CID 103169483

IUPAC1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)CC1CCC1
InChIInChI=1S/C14H21BrN2/c1-2-16-14(8-11-4-3-5-11)9-13-7-6-12(15)10-17-13/h6-7,10-11,14,16H,2-5,8-9H2,1H3
InChIKeyUFXHPCJRAPCJAU-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.55
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine

1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine (PubChem CID 103169483) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
PubChem CID103169483
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)CC1CCC1
InChIInChI=1S/C14H21BrN2/c1-2-16-14(8-11-4-3-5-11)9-13-7-6-12(15)10-17-13/h6-7,10-11,14,16H,2-5,8-9H2,1H3
InChIKeyUFXHPCJRAPCJAU-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
CID 105036172
1-cyclobutyl-N-ethyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 103164343
1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
CID 105036409
1-(5-bromo-2-pyridinyl)-3-(3-ethoxycyclobutyl)-N-propylpropan-2-amine
CID 103169479
1-(5-bromo-2-pyridinyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 104803952
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802565
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine
CID 104802554
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
CID 104802677
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 104801767
1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446739
1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 105036122
1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115839556

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine (CID 103169483) is 1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine is CCNC(Cc1ccc(Br)cn1)CC1CCC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine?
The InChIKey is UFXHPCJRAPCJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-2-16-14(8-11-4-3-5-11)9-13-7-6-12(15)10-17-13/h6-7,10-11,14,16H,2-5,8-9H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine?
1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine has a molecular weight of 297.24 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine is sourced from PubChem (CID 103169483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).