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

C11H18BrN3 — CID 104779301

IUPACN'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)c1ccncc1Br
InChIInChI=1S/C11H18BrN3/c1-3-13-7-8-15(4-2)11-5-6-14-9-10(11)12/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyFZRMRTYMBHDDCZ-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.28
Rot. Bonds6

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

N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine (PubChem CID 104779301) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine
PubChem CID104779301
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)c1ccncc1Br
InChIInChI=1S/C11H18BrN3/c1-3-13-7-8-15(4-2)11-5-6-14-9-10(11)12/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyFZRMRTYMBHDDCZ-UHFFFAOYSA-N
XLogP2.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
CID 104779492
2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 104778072
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
CID 83064976
N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 104779291
N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 104606633
3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine
CID 107490053
2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484125
N,N-diethyl-3-fluoropyridin-4-amine
CID 91326700
N-butyl-3-chloro-N-ethylpyridin-4-amine
CID 133352222
2-[(3-chloro-4-pyridinyl)-ethylamino]ethanol
CID 79770158
N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine
CID 104777664

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine?
The IUPAC name of N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine (CID 104779301) is N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine?
The canonical SMILES for N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine is CCNCCN(CC)c1ccncc1Br.
What is the InChIKey of N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine?
The InChIKey is FZRMRTYMBHDDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-3-13-7-8-15(4-2)11-5-6-14-9-10(11)12/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine?
N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.28, 6 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,N'-diethylethane-1,2-diamine is sourced from PubChem (CID 104779301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).