5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine

C12H19BrN2 — CID 79718700

IUPAC5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
SMILESCCCC(CC)Nc1ncc(Br)cc1C
InChIInChI=1S/C12H19BrN2/c1-4-6-11(5-2)15-12-9(3)7-10(13)8-14-12/h7-8,11H,4-6H2,1-3H3,(H,14,15)
InChIKeyCQCGEMRPBOSORU-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.14
Rot. Bonds5

About 5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine

5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine (PubChem CID 79718700) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
PubChem CID79718700
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
SMILESCCCC(CC)Nc1ncc(Br)cc1C
InChIInChI=1S/C12H19BrN2/c1-4-6-11(5-2)15-12-9(3)7-10(13)8-14-12/h7-8,11H,4-6H2,1-3H3,(H,14,15)
InChIKeyCQCGEMRPBOSORU-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine
CID 62476877
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106186160
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350476
5-bromo-3-chloro-N-(1-methoxypentan-2-yl)pyridin-2-amine
CID 103582537
5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 76848522
4-N-hexan-3-yl-5-methylpyrimidine-2,4-diamine
CID 80818217
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
CID 79717744
3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine
CID 106231623
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine
CID 103582526
5-bromo-3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79718486
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
CID 79718710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine (CID 79718700) is 5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine is CCCC(CC)Nc1ncc(Br)cc1C.
What is the InChIKey of 5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine?
The InChIKey is CQCGEMRPBOSORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-4-6-11(5-2)15-12-9(3)7-10(13)8-14-12/h7-8,11H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine?
5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine is sourced from PubChem (CID 79718700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).