N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

C13H20BrN3 — CID 104777050

IUPACN-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccncc1Br)C1CCCC1
InChIInChI=1S/C13H20BrN3/c1-17(11-4-2-3-5-11)9-8-16-13-6-7-15-10-12(13)14/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyRPADNBIAPYPNMR-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.13
Rot. Bonds5

About N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 104777050) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID104777050
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC NameN-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccncc1Br)C1CCCC1
InChIInChI=1S/C13H20BrN3/c1-17(11-4-2-3-5-11)9-8-16-13-6-7-15-10-12(13)14/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyRPADNBIAPYPNMR-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

N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 79841594
N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62575788
N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 113423561
3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine
CID 104777079
N'-cyclopropyl-N'-methyl-N-pyrazin-2-ylethane-1,2-diamine
CID 62980641
N-(2-bromo-4-nitrophenyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63318624
2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine
CID 62976081
N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561241
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
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'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 104777050) is N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is CN(CCNc1ccncc1Br)C1CCCC1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is RPADNBIAPYPNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-17(11-4-2-3-5-11)9-8-16-13-6-7-15-10-12(13)14/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-(3-bromo-4-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-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 104777050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).