1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine

C14H20Br2N2 — CID 114124590

IUPAC1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
SMILESCCC1(CNCc2ncc(Br)cc2Br)CCCC1
InChIInChI=1S/C14H20Br2N2/c1-2-14(5-3-4-6-14)10-17-9-13-12(16)7-11(15)8-18-13/h7-8,17H,2-6,9-10H2,1H3
InChIKeyCRJLUMFTZXGFJF-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.67
Rot. Bonds5

About 1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine

1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine (PubChem CID 114124590) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
PubChem CID114124590
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC Name1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
SMILESCCC1(CNCc2ncc(Br)cc2Br)CCCC1
InChIInChI=1S/C14H20Br2N2/c1-2-14(5-3-4-6-14)10-17-9-13-12(16)7-11(15)8-18-13/h7-8,17H,2-6,9-10H2,1H3
InChIKeyCRJLUMFTZXGFJF-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 113393726
1-(5-bromo-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735445
1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 113428371
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124598
N-[(1-ethylcyclopentyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 103768740
N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732815
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 113428364
2-[[(3,5-dibromo-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 113393731
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124465
1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275470
2-[(3,5-dibromo-2-pyridinyl)methylamino]-N-methylethanesulfonamide
CID 102680182
N-[(1-ethylcyclopentyl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 103766160

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine (CID 114124590) is 1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine is CCC1(CNCc2ncc(Br)cc2Br)CCCC1.
What is the InChIKey of 1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
The InChIKey is CRJLUMFTZXGFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-2-14(5-3-4-6-14)10-17-9-13-12(16)7-11(15)8-18-13/h7-8,17H,2-6,9-10H2,1H3.
What are the key properties of 1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine has a molecular weight of 376.14 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-pyridinyl)-N-[(1-ethylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 114124590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).