1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine

C12H20BrN3 — CID 115306109

IUPAC1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNc1ncc(Br)cc1C
InChIInChI=1S/C12H20BrN3/c1-4-12(14,5-2)8-16-11-9(3)6-10(13)7-15-11/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyGRIZZMJDGGQKAS-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.08
Rot. Bonds5

About 1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine

1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine (PubChem CID 115306109) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
PubChem CID115306109
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNc1ncc(Br)cc1C
InChIInChI=1S/C12H20BrN3/c1-4-12(14,5-2)8-16-11-9(3)6-10(13)7-15-11/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyGRIZZMJDGGQKAS-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 103582865
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 79718907
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
CID 167870567
5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine
CID 115148718
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
5-bromo-3-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)pyridin-2-amine
CID 115148709
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 79717746

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine?
The IUPAC name of 1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine (CID 115306109) is 1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine is CCC(N)(CC)CNc1ncc(Br)cc1C.
What is the InChIKey of 1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine?
The InChIKey is GRIZZMJDGGQKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-4-12(14,5-2)8-16-11-9(3)6-10(13)7-15-11/h6-7H,4-5,8,14H2,1-3H3,(H,15,16).
What are the key properties of 1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine?
1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine has a molecular weight of 286.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine is sourced from PubChem (CID 115306109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).