5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine

C12H19BrN2 — CID 63837105

IUPAC5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
SMILESCCC(CC)C(C)Nc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2/c1-4-10(5-2)9(3)15-12-7-6-11(13)8-14-12/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeySKWXHQMWQZQXRQ-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.08
Rot. Bonds5

About 5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine

5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine (PubChem CID 63837105) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
PubChem CID63837105
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
SMILESCCC(CC)C(C)Nc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2/c1-4-10(5-2)9(3)15-12-7-6-11(13)8-14-12/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeySKWXHQMWQZQXRQ-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 61463582
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
CID 63842921
N-(3-ethylpentan-2-yl)-5-fluoropyridin-2-amine
CID 63836752
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
(2R,4S)-4-[(5-bromo-2-pyridinyl)amino]-2-methylhexan-1-ol
CID 97025562
(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79249750
3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
CID 83180583
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
CID 119031686

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine (CID 63837105) is 5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine is CCC(CC)C(C)Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine?
The InChIKey is SKWXHQMWQZQXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-4-10(5-2)9(3)15-12-7-6-11(13)8-14-12/h6-10H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine?
5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine is sourced from PubChem (CID 63837105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).