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

C12H20BrN3 — CID 106875424

IUPACN-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nccc(C)c1Br
InChIInChI=1S/C12H20BrN3/c1-4-16(5-2)9-8-15-12-11(13)10(3)6-7-14-12/h6-7H,4-5,8-9H2,1-3H3,(H,14,15)
InChIKeyGLUCKBLKSKOLDB-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.91
Rot. Bonds6

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

N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 106875424) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
PubChem CID106875424
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC NameN-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nccc(C)c1Br
InChIInChI=1S/C12H20BrN3/c1-4-16(5-2)9-8-15-12-11(13)10(3)6-7-14-12/h6-7H,4-5,8-9H2,1-3H3,(H,14,15)
InChIKeyGLUCKBLKSKOLDB-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62253337
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 106876006
3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 106875503
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106875638
2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106875522
3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329769
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28574811

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine (CID 106875424) is N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1nccc(C)c1Br.
What is the InChIKey of N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is GLUCKBLKSKOLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-4-16(5-2)9-8-15-12-11(13)10(3)6-7-14-12/h6-7H,4-5,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine?
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 286.22 g/mol, XLogP of 2.91, 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-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 106875424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).