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

C11H18BrN3 — CID 114869545

IUPAC1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
SMILESCc1cc(NCC(N)C(C)C)ncc1Br
InChIInChI=1S/C11H18BrN3/c1-7(2)10(13)6-15-11-4-8(3)9(12)5-14-11/h4-5,7,10H,6,13H2,1-3H3,(H,14,15)
InChIKeyYBBGZJIWQNSSHC-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.55
Rot. Bonds4

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

1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine (PubChem CID 114869545) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
PubChem CID114869545
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
SMILESCc1cc(NCC(N)C(C)C)ncc1Br
InChIInChI=1S/C11H18BrN3/c1-7(2)10(13)6-15-11-4-8(3)9(12)5-14-11/h4-5,7,10H,6,13H2,1-3H3,(H,14,15)
InChIKeyYBBGZJIWQNSSHC-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

1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159322
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
CID 86802622
1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
CID 114869387
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357544
N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142320
2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869550
5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114869215
4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
CID 79734817
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 114869367

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine (CID 114869545) is 1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine is Cc1cc(NCC(N)C(C)C)ncc1Br.
What is the InChIKey of 1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine?
The InChIKey is YBBGZJIWQNSSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-7(2)10(13)6-15-11-4-8(3)9(12)5-14-11/h4-5,7,10H,6,13H2,1-3H3,(H,14,15).
What are the key properties of 1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine?
1-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 1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 114869545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).