N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

C13H20BrN3 — CID 113423561

IUPACN-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C13H20BrN3/c1-17(13-4-2-3-5-13)7-6-16-12-8-11(14)9-15-10-12/h8-10,13,16H,2-7H2,1H3
InChIKeyCOGMTQMMBQGSNO-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.13
Rot. Bonds5

About N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 113423561) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID113423561
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC NameN-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C13H20BrN3/c1-17(13-4-2-3-5-13)7-6-16-12-8-11(14)9-15-10-12/h8-10,13,16H,2-7H2,1H3
InChIKeyCOGMTQMMBQGSNO-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598
5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
CID 104534597
N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104777050
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 63314722
N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104531739
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625
N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177
N'-cyclopentyl-N-(6-hydrazinylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 80914281
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63318055
5-[2-[cyclopentyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 115487694
N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63317997
3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 71996706

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 113423561) is N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is CN(CCNc1cncc(Br)c1)C1CCCC1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is COGMTQMMBQGSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-17(13-4-2-3-5-13)7-6-16-12-8-11(14)9-15-10-12/h8-10,13,16H,2-7H2,1H3.
What are the key properties of N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine has a molecular weight of 298.23 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 113423561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).