2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

C18H29BrN2 — CID 105036587

IUPAC2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCCNC(Cc1cncc(Br)c1)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H29BrN2/c1-4-21-17(10-15-9-16(19)13-20-12-15)18(11-14(2)3)7-5-6-8-18/h9,12-14,17,21H,4-8,10-11H2,1-3H3
InChIKeyFTMLQINLYZWKGM-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.97
Rot. Bonds7

About 2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (PubChem CID 105036587) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
PubChem CID105036587
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCCNC(Cc1cncc(Br)c1)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H29BrN2/c1-4-21-17(10-15-9-16(19)13-20-12-15)18(11-14(2)3)7-5-6-8-18/h9,12-14,17,21H,4-8,10-11H2,1-3H3
InChIKeyFTMLQINLYZWKGM-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-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105036656
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine
CID 105030313
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
CID 104799912
2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine
CID 104804061
1-(5-bromo-3-pyridinyl)-2-N,3-N,3-N-triethyl-3-methylpentane-2,3-diamine
CID 104802945
[2-(3-bromo-5-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105324822
3-(5-bromo-3-pyridinyl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 104803184
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine
CID 115793603
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753226
1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine
CID 106797713

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (CID 105036587) is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is CCNC(Cc1cncc(Br)c1)C1(CC(C)C)CCCC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The InChIKey is FTMLQINLYZWKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-4-21-17(10-15-9-16(19)13-20-12-15)18(11-14(2)3)7-5-6-8-18/h9,12-14,17,21H,4-8,10-11H2,1-3H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]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-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is sourced from PubChem (CID 105036587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).