N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C14H24BrN3 — CID 114870363

IUPACN'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1cc(N(CCN(C)C)CC(C)C)ncc1Br
InChIInChI=1S/C14H24BrN3/c1-11(2)10-18(7-6-17(4)5)14-8-12(3)13(15)9-16-14/h8-9,11H,6-7,10H2,1-5H3
InChIKeyFQGGXKSZJMHEMY-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.18
Rot. Bonds6

About N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 114870363) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID114870363
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC NameN'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1cc(N(CCN(C)C)CC(C)C)ncc1Br
InChIInChI=1S/C14H24BrN3/c1-11(2)10-18(7-6-17(4)5)14-8-12(3)13(15)9-16-14/h8-9,11H,6-7,10H2,1-5H3
InChIKeyFQGGXKSZJMHEMY-UHFFFAOYSA-N
XLogP3.18
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

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Related Compounds

5-bromo-N,4-dimethyl-N-(4-methylpentyl)pyridin-2-amine
CID 115147221
N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114925738
2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 114869687
5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
CID 114869917
N'-[4-(aminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55006973
5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
CID 114870004
3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 115898860
[6-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-pyridinyl]methanol
CID 55008988
5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
2-[(5-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 115774139
5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869981
N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine
CID 114868959

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 114870363) is N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is Cc1cc(N(CCN(C)C)CC(C)C)ncc1Br.
What is the InChIKey of N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is FQGGXKSZJMHEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-11(2)10-18(7-6-17(4)5)14-8-12(3)13(15)9-16-14/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 314.27 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 114870363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).