2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine

C18H29BrN2 — CID 104802554

IUPAC2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(Cc2ccc(Br)cn2)NCC)CC1
InChIInChI=1S/C18H29BrN2/c1-3-5-14-6-8-15(9-7-14)18(20-4-2)12-17-11-10-16(19)13-21-17/h10-11,13-15,18,20H,3-9,12H2,1-2H3
InChIKeyNZSBYGAHEHRKFI-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.97
Rot. Bonds7

About 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine (PubChem CID 104802554) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine
PubChem CID104802554
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(Cc2ccc(Br)cn2)NCC)CC1
InChIInChI=1S/C18H29BrN2/c1-3-5-14-6-8-15(9-7-14)18(20-4-2)12-17-11-10-16(19)13-21-17/h10-11,13-15,18,20H,3-9,12H2,1-2H3
InChIKeyNZSBYGAHEHRKFI-UHFFFAOYSA-N
XLogP4.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802565
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79740147
2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol
CID 115833225
2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 113455010
1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103169483
1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
CID 105036409
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 104802183
N-ethyl-2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425325
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105036506
2-(5-ethyl-2-pyridinyl)-1-(4-propylcyclohexyl)ethanamine
CID 79747695
1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
CID 105036172
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107190842

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine (CID 104802554) is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine is CCCC1CCC(C(Cc2ccc(Br)cn2)NCC)CC1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine?
The InChIKey is NZSBYGAHEHRKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-3-5-14-6-8-15(9-7-14)18(20-4-2)12-17-11-10-16(19)13-21-17/h10-11,13-15,18,20H,3-9,12H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine?
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine has a molecular weight of 353.35 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine is sourced from PubChem (CID 104802554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).