N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

C12H19BrClN3 — CID 114838298

IUPACN'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)c1ncc(Cl)cc1Br
InChIInChI=1S/C12H19BrClN3/c1-9(2)7-15-4-5-17(3)12-11(13)6-10(14)8-16-12/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyOXSAAJUIQJUIBM-UHFFFAOYSA-N
MW320.66 g/mol
LogP3.18
Rot. Bonds6

About N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 114838298) has the molecular formula C12H19BrClN3 and a molecular weight of 320.66 g/mol. Its IUPAC name is N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID114838298
Molecular FormulaC12H19BrClN3
Molecular Weight320.66 g/mol
Exact Mass319.05
IUPAC NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)c1ncc(Cl)cc1Br
InChIInChI=1S/C12H19BrClN3/c1-9(2)7-15-4-5-17(3)12-11(13)6-10(14)8-16-12/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyOXSAAJUIQJUIBM-UHFFFAOYSA-N
XLogP3.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 53.18
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-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
CID 114838625
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
N'-(5-bromopyrimidin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 63873230
3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114836921
3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine
CID 114838597
N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591431
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 105368619
3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide
CID 104979865
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
CID 114836698
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114836684
N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine
CID 62593206
3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
CID 114836828

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 114838298) is N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCN(C)c1ncc(Cl)cc1Br.
What is the InChIKey of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is OXSAAJUIQJUIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrClN3/c1-9(2)7-15-4-5-17(3)12-11(13)6-10(14)8-16-12/h6,8-9,15H,4-5,7H2,1-3H3.
What are the key properties of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 320.66 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 114838298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).