6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine

C12H19BrN2 — CID 63961116

IUPAC6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CN(c1cccc(Br)n1)C(C)C
InChIInChI=1S/C12H19BrN2/c1-9(2)8-15(10(3)4)12-7-5-6-11(13)14-12/h5-7,9-10H,8H2,1-4H3
InChIKeyOUIKVKGBGRTHDI-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.71
Rot. Bonds4

About 6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine

6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 63961116) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
PubChem CID63961116
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CN(c1cccc(Br)n1)C(C)C
InChIInChI=1S/C12H19BrN2/c1-9(2)8-15(10(3)4)12-7-5-6-11(13)14-12/h5-7,9-10H,8H2,1-4H3
InChIKeyOUIKVKGBGRTHDI-UHFFFAOYSA-N
XLogP3.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-butan-2-yl-N-ethylpyridin-2-amine
CID 63962578
6-bromo-N,N-dibutylpyridin-2-amine
CID 63961710
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904714
(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171203397
2-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
CID 63063428
2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 63962390
1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107154989
(1R)-1-(6-bromo-2-pyridinyl)-4-methylpentan-1-amine;hydrochloride
CID 171203416
6-chloro-N-propan-2-yl-N-propylpyridin-2-amine
CID 63588596
3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 145104975
6-N-propan-2-yl-2-N,6-N-dipropylpyridine-2,6-diamine
CID 80775315

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine (CID 63961116) is 6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine is CC(C)CN(c1cccc(Br)n1)C(C)C.
What is the InChIKey of 6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is OUIKVKGBGRTHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-9(2)8-15(10(3)4)12-7-5-6-11(13)14-12/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 63961116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).