3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine

C12H19BrN2 — CID 106329769

IUPAC3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
SMILESCCC(C)(CC)Nc1nccc(C)c1Br
InChIInChI=1S/C12H19BrN2/c1-5-12(4,6-2)15-11-10(13)9(3)7-8-14-11/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyLBOQUFWRMPNIKD-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.14
Rot. Bonds4

About 3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine

3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine (PubChem CID 106329769) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
PubChem CID106329769
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
SMILESCCC(C)(CC)Nc1nccc(C)c1Br
InChIInChI=1S/C12H19BrN2/c1-5-12(4,6-2)15-11-10(13)9(3)7-8-14-11/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyLBOQUFWRMPNIKD-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949
3-bromo-N-(3-chloro-2-methylbutan-2-yl)-4-methylpyridin-2-amine
CID 106879063
3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 106875996
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106875638
3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine
CID 106875908
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 106875424
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine
CID 106331964

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine (CID 106329769) is 3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine is CCC(C)(CC)Nc1nccc(C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine?
The InChIKey is LBOQUFWRMPNIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-5-12(4,6-2)15-11-10(13)9(3)7-8-14-11/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine?
3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine is sourced from PubChem (CID 106329769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).