5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine

C11H15BrN2 — CID 130655433

IUPAC5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine
SMILESC=C(CC)CNc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2/c1-4-8(2)6-13-11-5-9(3)10(12)7-14-11/h5,7H,2,4,6H2,1,3H3,(H,13,14)
InChIKeyGLFIEIBYUQBQJO-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.53
Rot. Bonds4

About 5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine

5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine (PubChem CID 130655433) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine
PubChem CID130655433
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine
SMILESC=C(CC)CNc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2/c1-4-8(2)6-13-11-5-9(3)10(12)7-14-11/h5,7H,2,4,6H2,1,3H3,(H,13,14)
InChIKeyGLFIEIBYUQBQJO-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine
CID 131054209
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 115773852
6-methyl-N-(2-methylidenebutyl)pyrimidin-4-amine
CID 131071652
1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
CID 114869387
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142320
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
CID 86802622
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine
CID 126987115
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine (CID 130655433) is 5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine is C=C(CC)CNc1cc(C)c(Br)cn1.
What is the InChIKey of 5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine?
The InChIKey is GLFIEIBYUQBQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-4-8(2)6-13-11-5-9(3)10(12)7-14-11/h5,7H,2,4,6H2,1,3H3,(H,13,14).
What are the key properties of 5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine?
5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine has a molecular weight of 255.16 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine is sourced from PubChem (CID 130655433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).