N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine

C10H16BrN3 — CID 115303018

IUPACN-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CNc1ccc(Br)cn1
InChIInChI=1S/C10H16BrN3/c1-8(5-12-2)6-13-10-4-3-9(11)7-14-10/h3-4,7-8,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyHDCWWKWZHYOCAV-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.11
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine

N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 115303018) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID115303018
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC NameN-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CNc1ccc(Br)cn1
InChIInChI=1S/C10H16BrN3/c1-8(5-12-2)6-13-10-4-3-9(11)7-14-10/h3-4,7-8,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyHDCWWKWZHYOCAV-UHFFFAOYSA-N
XLogP2.11
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64597766
5-bromo-N-(2-ethoxypropyl)pyridin-2-amine
CID 115658186
N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 115303127
[3-[(5-bromo-2-pyridinyl)amino]-2-methylpropyl]-tert-butylcarbamic acid
CID 155099118
5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine
CID 133323967
5-bromo-N-[2-(2-methoxyphenoxy)propyl]pyridin-2-amine
CID 133324265
5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752
N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106550243
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001
N-(5-bromo-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 113282676
5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine
CID 115146662

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine (CID 115303018) is N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine is CNCC(C)CNc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is HDCWWKWZHYOCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-8(5-12-2)6-13-10-4-3-9(11)7-14-10/h3-4,7-8,12H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine?
N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 258.16 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115303018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).