N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine

C13H20BrN3 — CID 104798115

IUPACN'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
SMILESNCCN(Cc1ccc(Br)cn1)C1CCCC1
InChIInChI=1S/C13H20BrN3/c14-11-5-6-12(16-9-11)10-17(8-7-15)13-3-1-2-4-13/h5-6,9,13H,1-4,7-8,10,15H2
InChIKeyNYLCTWFAIRGEFG-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.55
Rot. Bonds5

About N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine

N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine (PubChem CID 104798115) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
PubChem CID104798115
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC NameN'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
SMILESNCCN(Cc1ccc(Br)cn1)C1CCCC1
InChIInChI=1S/C13H20BrN3/c14-11-5-6-12(16-9-11)10-17(8-7-15)13-3-1-2-4-13/h5-6,9,13H,1-4,7-8,10,15H2
InChIKeyNYLCTWFAIRGEFG-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol
CID 113239605
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113234633
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetic acid
CID 113394093
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 115741636
N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 115622615
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 115622551
N'-cyclopentyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866285
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
CID 102875201
[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine
CID 104813752
N'-[(5-bromo-2-pyridinyl)methyl]-N'-butylethane-1,2-diamine
CID 104798124

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine?
The IUPAC name of N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine (CID 104798115) is N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine?
The canonical SMILES for N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine is NCCN(Cc1ccc(Br)cn1)C1CCCC1.
What is the InChIKey of N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine?
The InChIKey is NYLCTWFAIRGEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c14-11-5-6-12(16-9-11)10-17(8-7-15)13-3-1-2-4-13/h5-6,9,13H,1-4,7-8,10,15H2.
What are the key properties of N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine?
N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine has a molecular weight of 298.23 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine is sourced from PubChem (CID 104798115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).