2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine

C11H18BrN3 — CID 114869550

IUPAC2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
SMILESCc1cc(NC(CN)C(C)C)ncc1Br
InChIInChI=1S/C11H18BrN3/c1-7(2)10(5-13)15-11-4-8(3)9(12)6-14-11/h4,6-7,10H,5,13H2,1-3H3,(H,14,15)
InChIKeyBAOVGYFQEOKYRW-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.55
Rot. Bonds4

About 2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine

2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine (PubChem CID 114869550) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
PubChem CID114869550
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
SMILESCc1cc(NC(CN)C(C)C)ncc1Br
InChIInChI=1S/C11H18BrN3/c1-7(2)10(5-13)15-11-4-8(3)9(12)6-14-11/h4,6-7,10H,5,13H2,1-3H3,(H,14,15)
InChIKeyBAOVGYFQEOKYRW-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357544
5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114869215
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 79734420
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511
5-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 115773894
5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine
CID 157426912
1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159322
4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
CID 79734817
2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 106504441

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine (CID 114869550) is 2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine is Cc1cc(NC(CN)C(C)C)ncc1Br.
What is the InChIKey of 2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine?
The InChIKey is BAOVGYFQEOKYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-7(2)10(5-13)15-11-4-8(3)9(12)6-14-11/h4,6-7,10H,5,13H2,1-3H3,(H,14,15).
What are the key properties of 2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine?
2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 114869550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).