5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine

C11H17BrN2 — CID 61373581

IUPAC5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2/c1-4-10(5-2)14(3)11-7-6-9(12)8-13-11/h6-8,10H,4-5H2,1-3H3
InChIKeyMRUZKIKSVNRKKC-UHFFFAOYSA-N
MW257.18 g/mol
LogP3.47
Rot. Bonds4

About 5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine

5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine (PubChem CID 61373581) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine
PubChem CID61373581
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2/c1-4-10(5-2)14(3)11-7-6-9(12)8-13-11/h6-8,10H,4-5H2,1-3H3
InChIKeyMRUZKIKSVNRKKC-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 107080438
5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79489379
5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
5-bromo-N-(1-methoxyethyl)-N-methylpyridin-2-amine
CID 174422412
5-(bromomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 107085000
5-bromo-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63463815
5-bromo-N-ethyl-N-methylpyridin-2-amine;2,5-dibromopyridine;N-methylethanamine
CID 159087569
5-bromo-N-(2-bromo-3-methoxypropyl)-N-methylpyridin-2-amine
CID 80674574
6-(aminomethyl)-N-methyl-N-pentan-3-ylpyridazin-3-amine
CID 62285653
6-N-methyl-6-N-pentan-3-ylpyridine-2,3,6-triamine
CID 79828067
5-bromo-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
CID 133448669

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine (CID 61373581) is 5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(C)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine?
The InChIKey is MRUZKIKSVNRKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-4-10(5-2)14(3)11-7-6-9(12)8-13-11/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine?
5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine has a molecular weight of 257.18 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 61373581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).